[(Z)-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]methylideneamino] 4-fluorobenzoate
Formula:C24H16N2O2ClFS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]methylideneamino] 4-fluorobenzoate is not a drug-like molecule.
| MolName | [(Z)-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]methylideneamino] 4-fluorobenzoate |
| MolecularFormula | C24H16N2O2ClFS |
| Smiles | O=C(c(cc1)ccc1F)O/N=C\c1cc2ccccc2nc1SCc(cc1)ccc1Cl |
| InChI | InChI=1S/C24H16ClFN2O2S/c25-20-9-5-16(6-10-20)15-31-23-19(13-18-3-1-2-4-22(18)28-23)14-27-30-24(29)17-7-11-21(26)12-8-17/h1-14H,15H2 |
| InChIK | MUJBRXPJMSNATP-UHFFFAOYSA-N |
| TotalMolweight | 450.92 |
| Molweight | 450.92 |
| MonoisotopicMass | 450.060503 |
| CLogP | 6.9997 |
| CLogS | -7.719 |
| H Acceptors | 4 |
| TotalSurfaceArea | 331.67 |
| Relative PSA | 0.18998 |
| PolarSurfaceArea | 76.85 |
| Druglikeness | -4.0046 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(Z)-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]methylideneamino] 4-fluorobenzoate | 2 - [(Z)-[2-[(4-chlorophenyl)methylsulfanyl]quinolin-3-yl]methylideneamino] 4-fluorobenzoate
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