2-[(Z)-[(2,5-dichlorophenyl)hydrazinylidene]methyl]benzoic acid
Formula:C14H10N2O2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-[(Z)-[(2,5-dichlorophenyl)hydrazinylidene]methyl]benzoic acid is not a drug-like molecule.
| MolName | 2-[(Z)-[(2,5-dichlorophenyl)hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C14H10N2O2Cl2 |
| Smiles | OC(c1c(/C=N\Nc(cc(cc2)Cl)c2Cl)cccc1)=O |
| InChI | InChI=1S/C14H10Cl2N2O2/c15-10-5-6-12(16)13(7-10)18-17-8-9-3-1-2-4-11(9)14(19)20/h1-8,18H,(H,19,20) |
| InChIK | CVUGTYQDUTVGTA-UHFFFAOYSA-N |
| TotalMolweight | 309.151 |
| Molweight | 309.151 |
| MonoisotopicMass | 308.011932 |
| CLogP | 5.538 |
| CLogS | -4.634 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 224.18 |
| Relative PSA | 0.21907 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 1.9083 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[(2,5-dichlorophenyl)hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[(2,5-dichlorophenyl)hydrazinylidene]methyl]benzoic acid
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