N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-1-phenylmethanamine
Formula:C17H14N3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-1-phenylmethanamine is a drug-like molecule.
| MolName | N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-1-phenylmethanamine |
| MolecularFormula | C17H14N3Cl |
| Smiles | Clc1nc2ccccc2cc1/C=N\NCc1ccccc1 |
| InChI | InChI=1S/C17H14ClN3/c18-17-15(10-14-8-4-5-9-16(14)21-17)12-20-19-11-13-6-2-1-3-7-13/h1-10,12,19H,11H2 |
| InChIK | IYDFWKTUABAMIO-UHFFFAOYSA-N |
| TotalMolweight | 295.772 |
| Molweight | 295.772 |
| MonoisotopicMass | 295.087624 |
| CLogP | 4.1386 |
| CLogS | -4.797 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 231.78 |
| Relative PSA | 0.14643 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.9803 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-1-phenylmethanamine | 2 - N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]-1-phenylmethanamine
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