4-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
Formula:C14H11N2O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C14H11N2O2F |
| Smiles | OC(c(cc1)ccc1N/N=C\c(cc1)ccc1F)=O |
| InChI | InChI=1S/C14H11FN2O2/c15-12-5-1-10(2-6-12)9-16-17-13-7-3-11(4-8-13)14(18)19/h1-9,17H,(H,18,19) |
| InChIK | AZQJRSOYKWITCF-UHFFFAOYSA-N |
| TotalMolweight | 258.251 |
| Molweight | 258.251 |
| MonoisotopicMass | 258.080456 |
| CLogP | 4.4268 |
| CLogS | -3.476 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 199.69 |
| Relative PSA | 0.24593 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 0.52098 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| 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-fluorophenyl)methylidene]hydrazinyl]benzoic acid | 2 - 4-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
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