N'-[2-(2-chlorophenyl)sulfanylacetyl]-4-nitrobenzohydrazide
Formula:C15H12N3O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N'-[2-(2-chlorophenyl)sulfanylacetyl]-4-nitrobenzohydrazide is a drug-like molecule.
| MolName | N'-[2-(2-chlorophenyl)sulfanylacetyl]-4-nitrobenzohydrazide |
| MolecularFormula | C15H12N3O4ClS |
| Smiles | [O-][N+](c(cc1)ccc1C(NNC(CSc(cccc1)c1Cl)=O)=O)=O |
| InChI | InChI=1S/C15H12ClN3O4S/c16-12-3-1-2-4-13(12)24-9-14(20)17-18-15(21)10-5-7-11(8-6-10)19(22)23/h1-8H,9H2,(H,17,20)(H,18,21) |
| InChIK | GFMMGLKEEBJEKF-UHFFFAOYSA-N |
| TotalMolweight | 365.796 |
| Molweight | 365.796 |
| MonoisotopicMass | 365.023704 |
| CLogP | 1.5148 |
| CLogS | -5.048 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 261.78 |
| Relative PSA | 0.3702 |
| PolarSurfaceArea | 129.32 |
| Druglikeness | -2.8216 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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