N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-nitro-4-(trifluoromethyl)aniline
Formula:C16H11N3O2F4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-nitro-4-(trifluoromethyl)aniline is a drug-like molecule.
| MolName | N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-nitro-4-(trifluoromethyl)aniline |
| MolecularFormula | C16H11N3O2F4S |
| Smiles | [O-][N+](c(cc(C(F)(F)F)cc1)c1N/N=C1\c(cc(cc2)F)c2SCC1)=O |
| InChI | InChI=1S/C16H11F4N3O2S/c17-10-2-4-15-11(8-10)12(5-6-26-15)21-22-13-3-1-9(16(18,19)20)7-14(13)23(24)25/h1-4,7-8,22H,5-6H2 |
| InChIK | SBKDUYMFSFCRBB-UHFFFAOYSA-N |
| TotalMolweight | 385.34 |
| Molweight | 385.34 |
| MonoisotopicMass | 385.050809 |
| CLogP | 4.5738 |
| CLogS | -5.957 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 258.44 |
| Relative PSA | 0.27426 |
| PolarSurfaceArea | 95.51 |
| Druglikeness | -10.85 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-nitro-4-(trifluoromethyl)aniline | 2 - N-[(Z)-(6-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-2-nitro-4-(trifluoromethyl)aniline
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