3-[(2Z)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]benzoic acid
Formula:C26H21N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2Z)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 3-[(2Z)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C26H21N3O2 |
| Smiles | OC(c1cc(N/N=C\c(cc2)ccc2N(c2ccccc2)c2ccccc2)ccc1)=O |
| InChI | InChI=1S/C26H21N3O2/c30-26(31)21-8-7-9-22(18-21)28-27-19-20-14-16-25(17-15-20)29(23-10-3-1-4-11-23)24-12-5-2-6-13-24/h1-19,28H,(H,30,31) |
| InChIK | QYQNTFXRWCXHKR-UHFFFAOYSA-N |
| TotalMolweight | 407.472 |
| Molweight | 407.472 |
| MonoisotopicMass | 407.163377 |
| CLogP | 6.9204 |
| CLogS | -7.338 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 323.16 |
| Relative PSA | 0.16295 |
| PolarSurfaceArea | 64.93 |
| Druglikeness | 2.6151 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.54839 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 10 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[(2Z)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]benzoic acid | 2 - 3-[(2Z)-2-[[4-(N-phenylanilino)phenyl]methylidene]hydrazinyl]benzoic acid
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