2-chloro-5-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzoic acid
Formula:C14H10N2O2Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-chloro-5-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 2-chloro-5-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C14H10N2O2Cl2 |
| Smiles | OC(c(cc(cc1)N/N=C\c(cccc2)c2Cl)c1Cl)=O |
| InChI | InChI=1S/C14H10Cl2N2O2/c15-12-4-2-1-3-9(12)8-17-18-10-5-6-13(16)11(7-10)14(19)20/h1-8,18H,(H,19,20) |
| InChIK | VJOQMOMQIVHVMP-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 | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| 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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