2-chloro-5-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid
Formula:C13H10N3O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-chloro-5-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid is a drug-like molecule.
| MolName | 2-chloro-5-[(2Z)-2-(pyridin-3-ylmethylidene)hydrazinyl]benzoic acid |
| MolecularFormula | C13H10N3O2Cl |
| Smiles | OC(c(cc(cc1)N/N=C\c2cnccc2)c1Cl)=O |
| InChI | InChI=1S/C13H10ClN3O2/c14-12-4-3-10(6-11(12)13(18)19)17-16-8-9-2-1-5-15-7-9/h1-8,17H,(H,18,19) |
| InChIK | SUOIONURGSGMPL-UHFFFAOYSA-N |
| TotalMolweight | 275.694 |
| Molweight | 275.694 |
| MonoisotopicMass | 275.046154 |
| CLogP | 3.9311 |
| CLogS | -3.103 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 207.52 |
| Relative PSA | 0.28951 |
| PolarSurfaceArea | 74.58 |
| Druglikeness | 1.9083 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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