2-hydroxy-N-[(Z)-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylideneamino]benzamide
Formula:C16H15N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-hydroxy-N-[(Z)-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-hydroxy-N-[(Z)-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]methylideneamino]benzamide |
| MolecularFormula | C16H15N3O5S |
| Smiles | [O-][N+](c(cc(/C=N\NC(c(cccc1)c1O)=O)cc1)c1SCCO)=O |
| InChI | InChI=1S/C16H15N3O5S/c20-7-8-25-15-6-5-11(9-13(15)19(23)24)10-17-18-16(22)12-3-1-2-4-14(12)21/h1-6,9-10,20-21H,7-8H2,(H,18,22) |
| InChIK | WBCNHUXYEGFUHM-UHFFFAOYSA-N |
| TotalMolweight | 361.377 |
| Molweight | 361.377 |
| MonoisotopicMass | 361.073242 |
| CLogP | 1.9818 |
| CLogS | -4.458 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 268.37 |
| Relative PSA | 0.41033 |
| PolarSurfaceArea | 153.04 |
| Druglikeness | -0.56243 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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