N-[(Z)-(3-bromophenyl)methylideneamino]-7-chloroquinolin-4-amine
Formula:C16H11N3BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-bromophenyl)methylideneamino]-7-chloroquinolin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-7-chloroquinolin-4-amine |
| MolecularFormula | C16H11N3BrCl |
| Smiles | Clc1ccc(c(N/N=C\c2cccc(Br)c2)ccn2)c2c1 |
| InChI | InChI=1S/C16H11BrClN3/c17-12-3-1-2-11(8-12)10-20-21-15-6-7-19-16-9-13(18)4-5-14(15)16/h1-10H,(H,19,21) |
| InChIK | JJTYWBMDLBXULI-UHFFFAOYSA-N |
| TotalMolweight | 360.641 |
| Molweight | 360.641 |
| MonoisotopicMass | 358.982485 |
| CLogP | 6.4881 |
| CLogS | -5.425 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 236.65 |
| Relative PSA | 0.14342 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 0.59454 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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