[4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenyl]methanol
Formula:C14H12N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenyl]methanol is a drug-like molecule.
| MolName | [4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenyl]methanol |
| MolecularFormula | C14H12N4O5 |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C\c1ccc(CO)cc1)=O |
| InChI | InChI=1S/C14H12N4O5/c19-9-11-3-1-10(2-4-11)8-15-16-13-6-5-12(17(20)21)7-14(13)18(22)23/h1-8,16,19H,9H2 |
| InChIK | ROJXEOHADCINRG-UHFFFAOYSA-N |
| TotalMolweight | 316.272 |
| Molweight | 316.272 |
| MonoisotopicMass | 316.080771 |
| CLogP | 2.4004 |
| CLogS | -3.953 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 236.69 |
| Relative PSA | 0.40944 |
| PolarSurfaceArea | 136.26 |
| Druglikeness | -3.3177 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - [4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenyl]methanol | 2 - [4-[(Z)-[(2,4-dinitrophenyl)hydrazinylidene]methyl]phenyl]methanol
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