(2E,6Z)-2-benzylidene-6-[[2-[5-(trifluoromethyl)pyridin-2-yl]hydrazinyl]methylidene]cyclohexan-1-one
Formula:C20H18N3OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(2E,6Z)-2-benzylidene-6-[[2-[5-(trifluoromethyl)pyridin-2-yl]hydrazinyl]methylidene]cyclohexan-1-one is a drug-like molecule.
| MolName | (2E,6Z)-2-benzylidene-6-[[2-[5-(trifluoromethyl)pyridin-2-yl]hydrazinyl]methylidene]cyclohexan-1-one |
| MolecularFormula | C20H18N3OF3 |
| Smiles | O=C(/C(/CCC1)=C/c2ccccc2)/C1=C\NNc1ncc(C(F)(F)F)cc1 |
| InChI | InChI=1S/C20H18F3N3O/c21-20(22,23)17-9-10-18(24-13-17)26-25-12-16-8-4-7-15(19(16)27)11-14-5-2-1-3-6-14/h1-3,5-6,9-13,25H,4,7-8H2,(H,24,26) |
| InChIK | JALOEPMUEJOFCN-UHFFFAOYSA-N |
| TotalMolweight | 373.377 |
| Molweight | 373.377 |
| MonoisotopicMass | 373.140196 |
| CLogP | 4.6573 |
| CLogS | -4.654 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 279.11 |
| Relative PSA | 0.16814 |
| PolarSurfaceArea | 54.02 |
| Druglikeness | -8.067 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (2E,6Z)-2-benzylidene-6-[[2-[5-(trifluoromethyl)pyridin-2-yl]hydrazinyl]methylidene]cyclohexan-1-one | 2 - (2E,6Z)-2-benzylidene-6-[[2-[5-(trifluoromethyl)pyridin-2-yl]hydrazinyl]methylidene]cyclohexan-1-one
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