N-[(Z)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]-3,5-dichloropyridin-4-amine
Formula:C13H13N3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]-3,5-dichloropyridin-4-amine is a drug-like molecule.
| MolName | N-[(Z)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]-3,5-dichloropyridin-4-amine |
| MolecularFormula | C13H13N3Cl2 |
| Smiles | Clc1cncc(Cl)c1N/N=C\C(C1)C2C=CC1C2 |
| InChI | InChI=1S/C13H13Cl2N3/c14-11-6-16-7-12(15)13(11)18-17-5-10-4-8-1-2-9(10)3-8/h1-2,5-10H,3-4H2,(H,16,18) |
| InChIK | XILPEJDYRWRWLF-UHFFFAOYSA-N |
| TotalMolweight | 282.173 |
| Molweight | 282.173 |
| MonoisotopicMass | 281.048651 |
| CLogP | 4.2694 |
| CLogS | -3.812 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 203.6 |
| Relative PSA | 0.1667 |
| PolarSurfaceArea | 37.28 |
| Druglikeness | 2.6747 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| StereoCenters | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 4 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon | unknown chirality |
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1 - N-[(Z)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]-3,5-dichloropyridin-4-amine | 2 - N-[(Z)-2-bicyclo[2.2.1]hept-5-enylmethylideneamino]-3,5-dichloropyridin-4-amine
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