In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 9th, 2004 | 13 | Yes |
Popular Name: Benzenesulfonamide, 4-(cyanomethyl)- (9CI) Benzenesulfonamide, 4-(cyanometh…
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CAS Number: 05/08/3665
BRN 2805595; Benzenesulfonamide, p-(cyanomethyl)-; LS-31459; p-(Cyanomethyl)benzenesulfonamide
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) | 0.60 | -3.49 | -16.59 | 2 | 4 | 0 | 83 | 196.231 | 2 | ↓ |
Note Type | Comments | Provided By |
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PUBCHEM_PATENT_ID | EP0326170A1; EP0326170B1; US4971620 | IBM Patent Data |