N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-7-chloroquinolin-4-amine
Formula:C14H9N3BrClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-7-chloroquinolin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(5-bromothiophen-2-yl)methylideneamino]-7-chloroquinolin-4-amine |
| MolecularFormula | C14H9N3BrClS |
| Smiles | Clc1ccc(c(N/N=C\c(s2)ccc2Br)ccn2)c2c1 |
| InChI | InChI=1S/C14H9BrClN3S/c15-14-4-2-10(20-14)8-18-19-12-5-6-17-13-7-9(16)1-3-11(12)13/h1-8H,(H,17,19) |
| InChIK | FOEUHMGKTNDXHU-UHFFFAOYSA-N |
| TotalMolweight | 366.669 |
| Molweight | 366.669 |
| MonoisotopicMass | 364.938905 |
| CLogP | 6.5594 |
| CLogS | -5.452 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 232.59 |
| Relative PSA | 0.23346 |
| PolarSurfaceArea | 65.52 |
| Druglikeness | 0.34166 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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