3-[(2Z)-2-[(4-phenylphenyl)methylidene]hydrazinyl]benzoic acid
Formula:C20H16N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2Z)-2-[(4-phenylphenyl)methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 3-[(2Z)-2-[(4-phenylphenyl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C20H16N2O2 |
| Smiles | OC(c1cc(N/N=C\c(cc2)ccc2-c2ccccc2)ccc1)=O |
| InChI | InChI=1S/C20H16N2O2/c23-20(24)18-7-4-8-19(13-18)22-21-14-15-9-11-17(12-10-15)16-5-2-1-3-6-16/h1-14,22H,(H,23,24) |
| InChIK | DHWZXCBSGHBBHU-UHFFFAOYSA-N |
| TotalMolweight | 316.359 |
| Molweight | 316.359 |
| MonoisotopicMass | 316.121178 |
| CLogP | 5.9852 |
| CLogS | -5.248 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 253.1 |
| Relative PSA | 0.19403 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 1.861 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[(2Z)-2-[(4-phenylphenyl)methylidene]hydrazinyl]benzoic acid | 2 - 3-[(2Z)-2-[(4-phenylphenyl)methylidene]hydrazinyl]benzoic acid
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