2-chloro-4-[5-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
Formula:C20H11N3O4ClF
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-chloro-4-[5-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.
| MolName | 2-chloro-4-[5-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C20H11N3O4ClF |
| Smiles | N#Cc(cc1)cc(F)c1C(N/N=C\c1ccc(-c(cc2)cc(Cl)c2C(O)=O)o1)=O |
| InChI | InChI=1S/C20H11ClFN3O4/c21-16-8-12(2-5-14(16)20(27)28)18-6-3-13(29-18)10-24-25-19(26)15-4-1-11(9-23)7-17(15)22/h1-8,10H,(H,25,26)(H,27,28) |
| InChIK | UEUOHOMGTGYBJB-UHFFFAOYSA-N |
| TotalMolweight | 411.775 |
| Molweight | 411.775 |
| MonoisotopicMass | 411.042212 |
| CLogP | 4.168 |
| CLogS | -7.017 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 304.02 |
| Relative PSA | 0.29544 |
| PolarSurfaceArea | 115.69 |
| Druglikeness | 0.72381 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65517 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-chloro-4-[5-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid | 2 - 2-chloro-4-[5-[(Z)-[(4-cyano-2-fluorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
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