| MolName | 4-[(2Z)-2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]benzoic acid |
| MolecularFormula | C25H19N2O3Cl |
| Smiles | OC(c(cc1)ccc1N/N=C\c(c1ccccc1cc1)c1OCc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C25H19ClN2O3/c26-20-10-5-17(6-11-20)16-31-24-14-9-18-3-1-2-4-22(18)23(24)15-27-28-21-12-7-19(8-13-21)25(29)30/h1-15,28H,16H2,(H,29,30) |
| InChIK | MSWUKLNQDGOVPX-UHFFFAOYSA-N |
| TotalMolweight | 430.89 |
| Molweight | 430.89 |
| MonoisotopicMass | 430.10842 |
| CLogP | 7.4745 |
| CLogS | -6.845 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 326.88 |
| Relative PSA | 0.18083 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 1.604 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(2Z)-2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]benzoic acid | 2 - 4-[(2Z)-2-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]benzoic acid