3,5-dichloro-N-[(Z)-(4-phenylphenyl)methylideneamino]pyridin-2-amine
Formula:C18H13N3Cl2
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
3,5-dichloro-N-[(Z)-(4-phenylphenyl)methylideneamino]pyridin-2-amine is not a drug-like molecule.
| MolName | 3,5-dichloro-N-[(Z)-(4-phenylphenyl)methylideneamino]pyridin-2-amine |
| MolecularFormula | C18H13N3Cl2 |
| Smiles | Clc1cc(Cl)c(N/N=C\c(cc2)ccc2-c2ccccc2)nc1 |
| InChI | InChI=1S/C18H13Cl2N3/c19-16-10-17(20)18(21-12-16)23-22-11-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-12H,(H,21,23) |
| InChIK | RJVLARBYHOWLNP-UHFFFAOYSA-N |
| TotalMolweight | 342.228 |
| Molweight | 342.228 |
| MonoisotopicMass | 341.048651 |
| CLogP | 7.0626 |
| CLogS | -6.437 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 258.6 |
| Relative PSA | 0.13125 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3,5-dichloro-N-[(Z)-(4-phenylphenyl)methylideneamino]pyridin-2-amine | 2 - 3,5-dichloro-N-[(Z)-(4-phenylphenyl)methylideneamino]pyridin-2-amine
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