2-chloro-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-5-(trifluoromethyl)aniline
Formula:C22H16N2OClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-5-(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | 2-chloro-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-5-(trifluoromethyl)aniline |
| MolecularFormula | C22H16N2OClF3 |
| Smiles | FC(c(cc1)cc(N/N=C(\C2)/c(cccc3)c3OC2c2ccccc2)c1Cl)(F)F |
| InChI | InChI=1S/C22H16ClF3N2O/c23-17-11-10-15(22(24,25)26)12-19(17)28-27-18-13-21(14-6-2-1-3-7-14)29-20-9-5-4-8-16(18)20/h1-12,21,28H,13H2/t21-/m1/s1 |
| InChIK | IFRFYXHXISNSDX-OAQYLSRUSA-N |
| TotalMolweight | 416.829 |
| Molweight | 416.829 |
| MonoisotopicMass | 416.090324 |
| CLogP | 7.8951 |
| CLogS | -6.251 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 294.85 |
| Relative PSA | 0.11182 |
| PolarSurfaceArea | 33.62 |
| Druglikeness | -5.6963 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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1 - 2-chloro-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-5-(trifluoromethyl)aniline | 2 - 2-chloro-N-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]-5-(trifluoromethyl)aniline
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