| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 25th, 2008 | 17 | No |
Popular Name: 3-Anilino-2-cyano-3-mercaptoacrylic acid ethylester 3-Anilino-2-cyano-3-mercaptoacry…
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CAS Number: 23593-51-3
3-Anilino-2-cyano-3-mercaptoacrylic acid ethyl
3-Anilino-2-cyano-3-mercaptoacrylic acid ethyl ester
| 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) | 2.31 | 7.21 | -36.5 | 1 | 4 | -1 | 62 | 247.299 | 5 | ↓ |
| Ref Reference (pH 7) | 2.31 | 7.01 | -36.99 | 1 | 4 | -1 | 62 | 247.299 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 118-119° | Fluorochem |
No pre-computed analogs available. Try a structural similarity search.