5-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-chlorobenzoic acid
Formula:C15H11N2O4Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
5-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-chlorobenzoic acid is not a drug-like molecule.
| MolName | 5-[(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)hydrazinyl]-2-chlorobenzoic acid |
| MolecularFormula | C15H11N2O4Cl |
| Smiles | OC(c(cc(cc1)N/N=C\c(cc2)cc3c2OCO3)c1Cl)=O |
| InChI | InChI=1S/C15H11ClN2O4/c16-12-3-2-10(6-11(12)15(19)20)18-17-7-9-1-4-13-14(5-9)22-8-21-13/h1-7,18H,8H2,(H,19,20) |
| InChIK | YASVCSIUJMAYMV-UHFFFAOYSA-N |
| TotalMolweight | 318.715 |
| Molweight | 318.715 |
| MonoisotopicMass | 318.040735 |
| CLogP | 5.0434 |
| CLogS | -4.609 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 229.02 |
| Relative PSA | 0.30176 |
| PolarSurfaceArea | 80.15 |
| Druglikeness | 1.7955 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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