3,5-dichloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]pyridin-2-amine
Formula:C15H13N3Cl2
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
3,5-dichloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]pyridin-2-amine is not a drug-like molecule.
| MolName | 3,5-dichloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]pyridin-2-amine |
| MolecularFormula | C15H13N3Cl2 |
| Smiles | Clc1cc(Cl)c(N/N=C(/CCC2)\c3c2cccc3)nc1 |
| InChI | InChI=1S/C15H13Cl2N3/c16-11-8-13(17)15(18-9-11)20-19-14-7-3-5-10-4-1-2-6-12(10)14/h1-2,4,6,8-9H,3,5,7H2,(H,18,20) |
| InChIK | BEBQOOQOGKZTBC-UHFFFAOYSA-N |
| TotalMolweight | 306.195 |
| Molweight | 306.195 |
| MonoisotopicMass | 305.048651 |
| CLogP | 6.0761 |
| CLogS | -5.3 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 224.83 |
| Relative PSA | 0.15096 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | -1.5334 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3,5-dichloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]pyridin-2-amine | 2 - 3,5-dichloro-N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylideneamino]pyridin-2-amine
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