In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 18 | Yes |
Popular Name: [4-(1H-1,3-benzodiazol-1-ylmethyl)phenyl]methanamine [4-(1H-1,3-benzodiazol-1-ylmethy…
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CAS Number: 953727-38-3
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) | 2.28 | 7.71 | -53.4 | 3 | 3 | 1 | 45 | 238.314 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.28 | 8.14 | -89.41 | 4 | 3 | 2 | 47 | 239.322 | 3 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 72 - 74 | Enamine Building Blocks |
MP | 72...74 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |