2-chloro-5-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
Formula:C19H13N2O5Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-chloro-5-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.
| MolName | 2-chloro-5-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C19H13N2O5Cl |
| Smiles | OC(c(cc(cc1)-c2ccc(/C=N\NC(c(cccc3)c3O)=O)o2)c1Cl)=O |
| InChI | InChI=1S/C19H13ClN2O5/c20-15-7-5-11(9-14(15)19(25)26)17-8-6-12(27-17)10-21-22-18(24)13-3-1-2-4-16(13)23/h1-10,23H,(H,22,24)(H,25,26) |
| InChIK | QEAKZRGTEGJMAV-UHFFFAOYSA-N |
| TotalMolweight | 384.774 |
| Molweight | 384.774 |
| MonoisotopicMass | 384.0513 |
| CLogP | 3.8859 |
| CLogS | -5.634 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 282.31 |
| Relative PSA | 0.31653 |
| PolarSurfaceArea | 112.13 |
| Druglikeness | 6.3438 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| 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 | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-chloro-5-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid | 2 - 2-chloro-5-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
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