N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
Formula:C18H19N3O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(3-hydroxyphenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide |
| MolecularFormula | C18H19N3O4S |
| Smiles | Oc1cccc(/C=N\NC(c2cccc(S(N3CCCC3)(=O)=O)c2)=O)c1 |
| InChI | InChI=1S/C18H19N3O4S/c22-16-7-3-5-14(11-16)13-19-20-18(23)15-6-4-8-17(12-15)26(24,25)21-9-1-2-10-21/h3-8,11-13,22H,1-2,9-10H2,(H,20,23) |
| InChIK | CRAWVOMJSVFDLZ-UHFFFAOYSA-N |
| TotalMolweight | 373.432 |
| Molweight | 373.432 |
| MonoisotopicMass | 373.109627 |
| CLogP | 2.7207 |
| CLogS | -3.25 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 273.76 |
| Relative PSA | 0.29676 |
| PolarSurfaceArea | 107.45 |
| Druglikeness | 0.96872 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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