4-[5-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
Formula:C20H12N3O4F
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[5-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.
| MolName | 4-[5-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C20H12N3O4F |
| Smiles | N#Cc(cc1)cc(F)c1C(N/N=C\c1ccc(-c(cc2)ccc2C(O)=O)o1)=O |
| InChI | InChI=1S/C20H12FN3O4/c21-17-9-12(10-22)1-7-16(17)19(25)24-23-11-15-6-8-18(28-15)13-2-4-14(5-3-13)20(26)27/h1-9,11H,(H,24,25)(H,26,27) |
| InChIK | CEPRUDCAQZBMAD-UHFFFAOYSA-N |
| TotalMolweight | 377.33 |
| Molweight | 377.33 |
| MonoisotopicMass | 377.081185 |
| CLogP | 3.562 |
| CLogS | -6.281 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 288.6 |
| Relative PSA | 0.31123 |
| PolarSurfaceArea | 115.69 |
| Druglikeness | 0.68716 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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