In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 6th, 2008 | 19 | Yes |
Popular Name: 3-Amino-4-chloro-N-(4-pyridinylmethyl)-benzenesulfonamide 3-Amino-4-chloro-N-(4-pyridinylm…
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CAS Numbers: 1040334-12-0 , N/A
3-Amino-4-chloro-N-(pyridin-4-ylmethyl)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) | 1.20 | 0.85 | -39.68 | 2 | 5 | -1 | 87 | 296.759 | 4 | ↓ |
Mid Mid (pH 6-8) | 1.20 | 1.27 | -12.36 | 3 | 5 | 0 | 85 | 297.767 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.20 | 1.71 | -45.55 | 4 | 5 | 1 | 86 | 298.775 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.20 | 1.29 | -47.56 | 3 | 5 | 0 | 88 | 297.767 | 4 | ↓ |
Note Type | Comments | Provided By |
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Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.