2-chloro-5-[5-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
Formula:C19H12N2O4Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-chloro-5-[5-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.
| MolName | 2-chloro-5-[5-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C19H12N2O4Cl2 |
| Smiles | OC(c(cc(cc1)-c2ccc(/C=N\NC(c(cc3)ccc3Cl)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C19H12Cl2N2O4/c20-13-4-1-11(2-5-13)18(24)23-22-10-14-6-8-17(27-14)12-3-7-16(21)15(9-12)19(25)26/h1-10H,(H,23,24)(H,25,26) |
| InChIK | OZQBYMUSVHWEAH-UHFFFAOYSA-N |
| TotalMolweight | 403.22 |
| Molweight | 403.22 |
| MonoisotopicMass | 402.017412 |
| CLogP | 4.8376 |
| CLogS | -6.666 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 291.38 |
| Relative PSA | 0.26172 |
| PolarSurfaceArea | 91.9 |
| Druglikeness | 6.3438 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| 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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1 - 2-chloro-5-[5-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid | 2 - 2-chloro-5-[5-[(Z)-[(4-chlorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
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