2-chloro-5-[(2Z)-2-[(4-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
Formula:C20H15N2O3Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-chloro-5-[(2Z)-2-[(4-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 2-chloro-5-[(2Z)-2-[(4-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C20H15N2O3Cl |
| Smiles | OC(c(cc(cc1)N/N=C\c(cc2)ccc2Oc2ccccc2)c1Cl)=O |
| InChI | InChI=1S/C20H15ClN2O3/c21-19-11-8-15(12-18(19)20(24)25)23-22-13-14-6-9-17(10-7-14)26-16-4-2-1-3-5-16/h1-13,23H,(H,24,25) |
| InChIK | LXLMRWWIDOANEE-UHFFFAOYSA-N |
| TotalMolweight | 366.803 |
| Molweight | 366.803 |
| MonoisotopicMass | 366.07712 |
| CLogP | 6.3276 |
| CLogS | -6.195 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 278.52 |
| Relative PSA | 0.21223 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 1.8402 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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