7-chloro-N-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)amino]quinolin-4-amine
Formula:C24H18N3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
7-chloro-N-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)amino]quinolin-4-amine is not a drug-like molecule.
| MolName | 7-chloro-N-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)amino]quinolin-4-amine |
| MolecularFormula | C24H18N3Cl |
| Smiles | Clc1cc2nccc(N/N=C(\CC3c4ccccc4)/c4c3cccc4)c2cc1 |
| InChI | InChI=1S/C24H18ClN3/c25-17-10-11-20-22(12-13-26-23(20)14-17)27-28-24-15-21(16-6-2-1-3-7-16)18-8-4-5-9-19(18)24/h1-14,21H,15H2,(H,26,27)/t21-/m0/s1 |
| InChIK | VJVPDIJYBUBADB-NRFANRHFSA-N |
| TotalMolweight | 383.881 |
| Molweight | 383.881 |
| MonoisotopicMass | 383.118924 |
| CLogP | 7.0374 |
| CLogS | -6.419 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 288.75 |
| Relative PSA | 0.11754 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 1.3966 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - 7-chloro-N-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)amino]quinolin-4-amine | 2 - 7-chloro-N-[(E)-(3-phenyl-2,3-dihydroinden-1-ylidene)amino]quinolin-4-amine
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