7-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]quinolin-4-amine
Formula:C23H18N3OCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
7-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]quinolin-4-amine is not a drug-like molecule.
| MolName | 7-chloro-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]quinolin-4-amine |
| MolecularFormula | C23H18N3OCl |
| Smiles | Clc1cc2nccc(N/N=C\c(cc3)ccc3OCc3ccccc3)c2cc1 |
| InChI | InChI=1S/C23H18ClN3O/c24-19-8-11-21-22(12-13-25-23(21)14-19)27-26-15-17-6-9-20(10-7-17)28-16-18-4-2-1-3-5-18/h1-15H,16H2,(H,25,27) |
| InChIK | LGBKKBFTKOHKNO-UHFFFAOYSA-N |
| TotalMolweight | 387.869 |
| Molweight | 387.869 |
| MonoisotopicMass | 387.113839 |
| CLogP | 7.111 |
| CLogS | -5.932 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 301.54 |
| Relative PSA | 0.14572 |
| PolarSurfaceArea | 46.51 |
| Druglikeness | 1.6725 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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