3-(4-chlorophenyl)sulfanyl-N-[(Z)-(2-nitrophenyl)methylideneamino]propanamide
Formula:C16H14N3O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
3-(4-chlorophenyl)sulfanyl-N-[(Z)-(2-nitrophenyl)methylideneamino]propanamide is a drug-like molecule.
| MolName | 3-(4-chlorophenyl)sulfanyl-N-[(Z)-(2-nitrophenyl)methylideneamino]propanamide |
| MolecularFormula | C16H14N3O3ClS |
| Smiles | [O-][N+](c1c(/C=N\NC(CCSc(cc2)ccc2Cl)=O)cccc1)=O |
| InChI | InChI=1S/C16H14ClN3O3S/c17-13-5-7-14(8-6-13)24-10-9-16(21)19-18-11-12-3-1-2-4-15(12)20(22)23/h1-8,11H,9-10H2,(H,19,21) |
| InChIK | PSHRZTODPILUIP-UHFFFAOYSA-N |
| TotalMolweight | 363.824 |
| Molweight | 363.824 |
| MonoisotopicMass | 363.044439 |
| CLogP | 3.5532 |
| CLogS | -5.729 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 271.09 |
| Relative PSA | 0.30957 |
| PolarSurfaceArea | 112.58 |
| Druglikeness | -0.59476 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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