2-chloro-5-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]benzoic acid
Formula:C21H17N2O3Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-chloro-5-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]benzoic acid is not a drug-like molecule.
| MolName | 2-chloro-5-[(2Z)-2-[(4-phenylmethoxyphenyl)methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C21H17N2O3Cl |
| Smiles | OC(c(cc(cc1)N/N=C\c(cc2)ccc2OCc2ccccc2)c1Cl)=O |
| InChI | InChI=1S/C21H17ClN2O3/c22-20-11-8-17(12-19(20)21(25)26)24-23-13-15-6-9-18(10-7-15)27-14-16-4-2-1-3-5-16/h1-13,24H,14H2,(H,25,26) |
| InChIK | RCPMJFORSRKMPF-UHFFFAOYSA-N |
| TotalMolweight | 380.83 |
| Molweight | 380.83 |
| MonoisotopicMass | 380.09277 |
| CLogP | 6.2801 |
| CLogS | -5.239 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 292.28 |
| Relative PSA | 0.20224 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 1.604 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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