2-chloro-5-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
Formula:C14H10N2O2ClF
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-chloro-5-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 2-chloro-5-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C14H10N2O2ClF |
| Smiles | OC(c(cc(cc1)N/N=C\c(cc2)ccc2F)c1Cl)=O |
| InChI | InChI=1S/C14H10ClFN2O2/c15-13-6-5-11(7-12(13)14(19)20)18-17-8-9-1-3-10(16)4-2-9/h1-8,18H,(H,19,20) |
| InChIK | KQKFEWVMOOTTJY-UHFFFAOYSA-N |
| TotalMolweight | 292.696 |
| Molweight | 292.696 |
| MonoisotopicMass | 292.041483 |
| CLogP | 5.0328 |
| CLogS | -4.212 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 215.11 |
| Relative PSA | 0.2283 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 0.56833 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-chloro-5-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid | 2 - 2-chloro-5-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]benzoic acid
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off