7-chloro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]quinolin-4-amine
Formula:C14H9N4O2ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
7-chloro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]quinolin-4-amine is a drug-like molecule.
| MolName | 7-chloro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]quinolin-4-amine |
| MolecularFormula | C14H9N4O2ClS |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2c(ccc(Cl)c3)c3ncc2)s1)=O |
| InChI | InChI=1S/C14H9ClN4O2S/c15-9-1-3-11-12(5-6-16-13(11)7-9)18-17-8-10-2-4-14(22-10)19(20)21/h1-8H,(H,16,18) |
| InChIK | RQMTZQLCEIQOAB-UHFFFAOYSA-N |
| TotalMolweight | 332.77 |
| Molweight | 332.77 |
| MonoisotopicMass | 332.013473 |
| CLogP | 4.7271 |
| CLogS | -5.211 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 237.63 |
| Relative PSA | 0.35652 |
| PolarSurfaceArea | 111.34 |
| Druglikeness | -1.5926 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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