3-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol
Formula:C13H11N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol is a drug-like molecule.
| MolName | 3-[(Z)-[(2-nitrophenyl)hydrazinylidene]methyl]phenol |
| MolecularFormula | C13H11N3O3 |
| Smiles | [O-][N+](c(cccc1)c1N/N=C\c1cc(O)ccc1)=O |
| InChI | InChI=1S/C13H11N3O3/c17-11-5-3-4-10(8-11)9-14-15-12-6-1-2-7-13(12)16(18)19/h1-9,15,17H |
| InChIK | RYURTNFXKJTHQM-UHFFFAOYSA-N |
| TotalMolweight | 257.248 |
| Molweight | 257.248 |
| MonoisotopicMass | 257.080042 |
| CLogP | 3.5736 |
| CLogS | -3.313 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 199.26 |
| Relative PSA | 0.33368 |
| PolarSurfaceArea | 90.44 |
| Druglikeness | -3.1684 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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