3-[(2Z)-2-[[4-(trifluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid
Formula:C15H11N2O3F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2Z)-2-[[4-(trifluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 3-[(2Z)-2-[[4-(trifluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C15H11N2O3F3 |
| Smiles | OC(c1cccc(N/N=C\c(cc2)ccc2OC(F)(F)F)c1)=O |
| InChI | InChI=1S/C15H11F3N2O3/c16-15(17,18)23-13-6-4-10(5-7-13)9-19-20-12-3-1-2-11(8-12)14(21)22/h1-9,20H,(H,21,22) |
| InChIK | NUHLAYHIDANNAI-UHFFFAOYSA-N |
| TotalMolweight | 324.257 |
| Molweight | 324.257 |
| MonoisotopicMass | 324.072177 |
| CLogP | 5.425 |
| CLogS | -4.185 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 232.8 |
| Relative PSA | 0.25391 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | -6.2177 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[(2Z)-2-[[4-(trifluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid | 2 - 3-[(2Z)-2-[[4-(trifluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid
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