N-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]imino-1-(4-chlorophenyl)prop-1-enyl]-3,5-bis(trifluoromethyl)aniline
Formula:C25H13N2ClF12
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]imino-1-(4-chlorophenyl)prop-1-enyl]-3,5-bis(trifluoromethyl)aniline is not a drug-like molecule.
| MolName | N-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]imino-1-(4-chlorophenyl)prop-1-enyl]-3,5-bis(trifluoromethyl)aniline |
| MolecularFormula | C25H13N2ClF12 |
| Smiles | FC(c1cc(N/C(/c(cc2)ccc2Cl)=C/C=N/c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1)(F)F |
| InChI | InChI=1S/C25H13ClF12N2/c26-18-3-1-13(2-4-18)21(40-20-11-16(24(33,34)35)8-17(12-20)25(36,37)38)5-6-39-19-9-14(22(27,28)29)7-15(10-19)23(30,31)32/h1-12,40H |
| InChIK | TZQCBQZTZIYZTI-UHFFFAOYSA-N |
| TotalMolweight | 604.821 |
| Molweight | 604.821 |
| MonoisotopicMass | 604.057561 |
| CLogP | 8.0082 |
| CLogS | -8.33 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 386.97 |
| Relative PSA | 0.059359 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -6.0328 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.375 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 18 |
| StereoCon |
Click to Load Molecule:
1 - N-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]imino-1-(4-chlorophenyl)prop-1-enyl]-3,5-bis(trifluoromethyl)aniline | 2 - N-[(E)-3-[3,5-bis(trifluoromethyl)phenyl]imino-1-(4-chlorophenyl)prop-1-enyl]-3,5-bis(trifluoromethyl)aniline
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