4-[(2E)-2-[cyclopropyl-(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
Formula:C17H15N2O2F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2E)-2-[cyclopropyl-(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(2E)-2-[cyclopropyl-(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C17H15N2O2F |
| Smiles | OC(c(cc1)ccc1N/N=C(\C1CC1)/c(cc1)ccc1F)=O |
| InChI | InChI=1S/C17H15FN2O2/c18-14-7-3-12(4-8-14)16(11-1-2-11)20-19-15-9-5-13(6-10-15)17(21)22/h3-11,19H,1-2H2,(H,21,22) |
| InChIK | GZRYDRRJHGQXQJ-UHFFFAOYSA-N |
| TotalMolweight | 298.316 |
| Molweight | 298.316 |
| MonoisotopicMass | 298.111756 |
| CLogP | 4.6828 |
| CLogS | -4.352 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 224.42 |
| Relative PSA | 0.21883 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 0.71382 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(2E)-2-[cyclopropyl-(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid | 2 - 4-[(2E)-2-[cyclopropyl-(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
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