3-chloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine
Formula:C15H11N3ClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
3-chloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C15H11N3ClF3 |
| Smiles | FC(c1cc(Cl)c(N/N=C\C=C\c2ccccc2)nc1)(F)F |
| InChI | InChI=1S/C15H11ClF3N3/c16-13-9-12(15(17,18)19)10-20-14(13)22-21-8-4-7-11-5-2-1-3-6-11/h1-10H,(H,20,22) |
| InChIK | FUNFZJICKMMMOC-UHFFFAOYSA-N |
| TotalMolweight | 325.72 |
| Molweight | 325.72 |
| MonoisotopicMass | 325.059358 |
| CLogP | 5.664 |
| CLogS | -4.685 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 239.38 |
| Relative PSA | 0.14178 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | -4.8889 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3-chloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine | 2 - 3-chloro-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-5-(trifluoromethyl)pyridin-2-amine
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