4-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]benzoic acid
Formula:C15H11N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C15H11N3O2 |
| Smiles | N#Cc1ccc(/C=N\Nc(cc2)ccc2C(O)=O)cc1 |
| InChI | InChI=1S/C15H11N3O2/c16-9-11-1-3-12(4-2-11)10-17-18-14-7-5-13(6-8-14)15(19)20/h1-8,10,18H,(H,19,20) |
| InChIK | ZOGFCHGEJFIHNH-UHFFFAOYSA-N |
| TotalMolweight | 265.271 |
| Molweight | 265.271 |
| MonoisotopicMass | 265.085127 |
| CLogP | 4.1616 |
| CLogS | -3.935 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 215.05 |
| Relative PSA | 0.29142 |
| PolarSurfaceArea | 85.48 |
| Druglikeness | -2.419 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]benzoic acid | 2 - 4-[(2Z)-2-[(4-cyanophenyl)methylidene]hydrazinyl]benzoic acid
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