3-chloro-N-[(Z)-(4-phenylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
Formula:C19H13N3ClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
3-chloro-N-[(Z)-(4-phenylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-(4-phenylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine |
| MolecularFormula | C19H13N3ClF3 |
| Smiles | FC(c1cc(Cl)c(N/N=C\c(cc2)ccc2-c2ccccc2)nc1)(F)F |
| InChI | InChI=1S/C19H13ClF3N3/c20-17-10-16(19(21,22)23)12-24-18(17)26-25-11-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-12H,(H,24,26) |
| InChIK | CDHTZFVZCJBEFV-UHFFFAOYSA-N |
| TotalMolweight | 375.78 |
| Molweight | 375.78 |
| MonoisotopicMass | 375.075008 |
| CLogP | 7.3049 |
| CLogS | -6.479 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 272.64 |
| Relative PSA | 0.12449 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | -4.8055 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 3-chloro-N-[(Z)-(4-phenylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine | 2 - 3-chloro-N-[(Z)-(4-phenylphenyl)methylideneamino]-5-(trifluoromethyl)pyridin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off