In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 2nd, 2008 | 12 | No |
Popular Name: ISATIN-3-OXIME ISATIN-3-OXIME
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 607-28-3 , [607-28-3]
(3E)-1H-Indole-2,3-dione 3-oxime
(3E)-3-(hydroxyimino)-2,3-dihydro-1H-indol-2-one
(3Z)-1H-indole-2,3-dione 3-oxime
(3Z)-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one
1H-indole-2,3-dione, 3-oxime, (3Z)-
3-Hydroxyamino-1,3-dihydro-indol-2-one
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 1.22 | -0.12 | -9.67 | 2 | 4 | 0 | 65 | 162.148 | 0 | ↓ |
Ref Reference (pH 7) | 0.71 | 0.26 | -8.65 | 1 | 4 | 0 | 59 | 162.148 | 1 | ↓ |
Ref Reference (pH 7) | 1.22 | 0.59 | -10.78 | 2 | 4 | 0 | 65 | 162.148 | 0 | ↓ |
Ref Reference (pH 7) | 1.05 | -0.21 | -29.98 | 3 | 4 | 1 | 63 | 163.156 | 1 | ↓ |
Ref Reference (pH 7) | 0.71 | 0.26 | -8.65 | 1 | 4 | 0 | 59 | 162.148 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 214 | TCI |
MP | 217° | Matrix Scientific |
MP | 242 - 244 | Enamine Building Blocks |
MP | 242...244 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 95% | Fluorochem |
Melting_Point | ca 228? dec. | Alfa-Aesar |
Melting_Point | ca 228° dec. | Alfa-Aesar |
PUBCHEM_PATENT_ID | EP0432648B1; EP0685463A1; EP0781284A1; EP0781284B1; EP0869958A1; EP1002535A1; US5192792; US5198461; US5364617; US5917053; US5952511; US6031111; US6114536; US6124285; US6127544; WO1991016034A1; WO1996008494A1; WO1998014447A1; WO1999049864A1; WO2000001376A2 | IBM Patent Data |
Warnings | IRRITANT | Matrix Scientific |
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.09 | 2.01 | -10.11 | 2 | 4 | 0 | 65 | 190.202 | 1 | ↓ |
Lo Low (pH 4.5-6) | 2.76 | 2.06 | -11.06 | 2 | 4 | 0 | 65 | 190.202 | 2 | ↓ |