7-chloro-N-[(Z)-2,3-dihydroinden-1-ylideneamino]quinolin-4-amine
Formula:C18H14N3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
7-chloro-N-[(Z)-2,3-dihydroinden-1-ylideneamino]quinolin-4-amine is not a drug-like molecule.
| MolName | 7-chloro-N-[(Z)-2,3-dihydroinden-1-ylideneamino]quinolin-4-amine |
| MolecularFormula | C18H14N3Cl |
| Smiles | Clc1cc2nccc(N/N=C(/CC3)\c4c3cccc4)c2cc1 |
| InChI | InChI=1S/C18H14ClN3/c19-13-6-7-15-17(9-10-20-18(15)11-13)22-21-16-8-5-12-3-1-2-4-14(12)16/h1-4,6-7,9-11H,5,8H2,(H,20,22) |
| InChIK | VCZGRVCIOVLNOM-UHFFFAOYSA-N |
| TotalMolweight | 307.783 |
| Molweight | 307.783 |
| MonoisotopicMass | 307.087624 |
| CLogP | 6.0936 |
| CLogS | -5.27 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 230.25 |
| Relative PSA | 0.1474 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 0.34663 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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