4-chloro-2-nitro-6-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate
Formula:C15H11N3O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-2-nitro-6-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate is a drug-like molecule.
| MolName | 4-chloro-2-nitro-6-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenolate |
| MolecularFormula | C15H11N3O4Cl |
| Smiles | [O-]c(c(/C=N\NC(Cc1ccccc1)=O)cc(Cl)c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C15H12ClN3O4/c16-12-7-11(15(21)13(8-12)19(22)23)9-17-18-14(20)6-10-4-2-1-3-5-10/h1-5,7-9,21H,6H2,(H,18,20)/p-1 |
| InChIK | WNKKPTKRKOVAJR-UHFFFAOYSA-M |
| TotalMolweight | 332.722 |
| Molweight | 332.722 |
| MonoisotopicMass | 332.043809 |
| CLogP | 0.9604 |
| CLogS | -4.586 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 247.37 |
| Relative PSA | 0.32627 |
| PolarSurfaceArea | 110.34 |
| Druglikeness | -0.76796 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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