| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 15 | No |
Popular Name: 6642-32-6; N-(3-phenyl-1H-1,2,4-triazol-5-yl)urea; nsc8179 6642-32-6; N-(3-phenyl-1H-1,2,4-…
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CAS Number: 6642-32-6
| 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) | 0.59 | 1.63 | -47.09 | 3 | 6 | -1 | 103 | 202.197 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.96 | 3.15 | -14.16 | 4 | 6 | 0 | 97 | 203.205 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| PUBCHEM_PATENT_ID | US5541193 | IBM Patent Data |
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