3-chloro-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-(trifluoromethyl)pyridin-2-amine
Formula:C15H10N3ClF4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
3-chloro-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-(trifluoromethyl)pyridin-2-amine is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C15H10N3ClF4S |
| Smiles | FC(c1cc(Cl)c(N/N=C2\c(cc(cc3)F)c3SCC2)nc1)(F)F |
| InChI | InChI=1S/C15H10ClF4N3S/c16-11-5-8(15(18,19)20)7-21-14(11)23-22-12-3-4-24-13-2-1-9(17)6-10(12)13/h1-2,5-7H,3-4H2,(H,21,23) |
| InChIK | KABPAUWOHPWOJB-UHFFFAOYSA-N |
| TotalMolweight | 375.776 |
| Molweight | 375.776 |
| MonoisotopicMass | 375.022006 |
| CLogP | 5.4519 |
| CLogS | -5.963 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 248.95 |
| Relative PSA | 0.20659 |
| PolarSurfaceArea | 62.58 |
| Druglikeness | -5.6117 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-chloro-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-(trifluoromethyl)pyridin-2-amine | 2 - 3-chloro-N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-5-(trifluoromethyl)pyridin-2-amine
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