[(Z)-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]methylideneamino] cyclopropanecarboxylate
Formula:C21H17N2O2ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:low
[(Z)-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]methylideneamino] cyclopropanecarboxylate is not a drug-like molecule.
| MolName | [(Z)-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]methylideneamino] cyclopropanecarboxylate |
| MolecularFormula | C21H17N2O2ClS |
| Smiles | O=C(C1CC1)O/N=C\c1cc2ccccc2nc1SCc(cc1)ccc1Cl |
| InChI | InChI=1S/C21H17ClN2O2S/c22-18-9-5-14(6-10-18)13-27-20-17(12-23-26-21(25)15-7-8-15)11-16-3-1-2-4-19(16)24-20/h1-6,9-12,15H,7-8,13H2 |
| InChIK | FJVQTBWTVDMQAV-UHFFFAOYSA-N |
| TotalMolweight | 396.897 |
| Molweight | 396.897 |
| MonoisotopicMass | 396.069925 |
| CLogP | 5.7732 |
| CLogS | -6.751 |
| H Acceptors | 4 |
| TotalSurfaceArea | 292.08 |
| Relative PSA | 0.21573 |
| PolarSurfaceArea | 76.85 |
| Druglikeness | -1.1733 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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