4-nitro-2-[(Z)-[(4-phenylbenzoyl)hydrazinylidene]methyl]phenolate
Formula:C20H14N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-2-[(Z)-[(4-phenylbenzoyl)hydrazinylidene]methyl]phenolate is a drug-like molecule.
| MolName | 4-nitro-2-[(Z)-[(4-phenylbenzoyl)hydrazinylidene]methyl]phenolate |
| MolecularFormula | C20H14N3O4 |
| Smiles | [O-]c(cc1)c(/C=N\NC(c(cc2)ccc2-c2ccccc2)=O)cc1[N+]([O-])=O |
| InChI | InChI=1S/C20H15N3O4/c24-19-11-10-18(23(26)27)12-17(19)13-21-22-20(25)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,24H,(H,22,25)/p-1 |
| InChIK | IISGMFJJYQCUKM-UHFFFAOYSA-M |
| TotalMolweight | 360.348 |
| Molweight | 360.348 |
| MonoisotopicMass | 360.098432 |
| CLogP | 2.0155 |
| CLogS | -5.971 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 277.95 |
| Relative PSA | 0.29038 |
| PolarSurfaceArea | 110.34 |
| Druglikeness | -0.78017 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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