4-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
Formula:C20H16N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 4-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C20H16N2O3 |
| Smiles | OC(c(cc1)ccc1N/N=C\c1cc(Oc2ccccc2)ccc1)=O |
| InChI | InChI=1S/C20H16N2O3/c23-20(24)16-9-11-17(12-10-16)22-21-14-15-5-4-8-19(13-15)25-18-6-2-1-3-7-18/h1-14,22H,(H,23,24) |
| InChIK | JXPQBMIBCDGZHY-UHFFFAOYSA-N |
| TotalMolweight | 332.358 |
| Molweight | 332.358 |
| MonoisotopicMass | 332.116093 |
| CLogP | 5.7216 |
| CLogS | -5.459 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 263.1 |
| Relative PSA | 0.22467 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 1.7823 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| 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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1 - 4-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid | 2 - 4-[(2Z)-2-[(3-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
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