2-chloro-N-[(E)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]-5-(trifluoromethyl)aniline
Formula:C16H11N2OClF4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(E)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]-5-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2-chloro-N-[(E)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]-5-(trifluoromethyl)aniline |
| MolecularFormula | C16H11N2OClF4 |
| Smiles | FC(c(cc1)cc(N/N=C2/c(cc(cc3)F)c3OCC2)c1Cl)(F)F |
| InChI | InChI=1S/C16H11ClF4N2O/c17-12-3-1-9(16(19,20)21)7-14(12)23-22-13-5-6-24-15-4-2-10(18)8-11(13)15/h1-4,7-8,23H,5-6H2 |
| InChIK | LOHFDLDMUBNROV-UHFFFAOYSA-N |
| TotalMolweight | 358.721 |
| Molweight | 358.721 |
| MonoisotopicMass | 358.049602 |
| CLogP | 6.4797 |
| CLogS | -5.471 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 242.7 |
| Relative PSA | 0.13585 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | -6.4879 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-chloro-N-[(E)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]-5-(trifluoromethyl)aniline | 2 - 2-chloro-N-[(E)-(6-fluoro-2,3-dihydrochromen-4-ylidene)amino]-5-(trifluoromethyl)aniline
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