N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine
Formula:C13H15N3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine is a drug-like molecule.
| MolName | N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine |
| MolecularFormula | C13H15N3Cl2 |
| Smiles | Clc1cccc(Cl)c1/C=N\NC1=NCCCCC1 |
| InChI | InChI=1S/C13H15Cl2N3/c14-11-5-4-6-12(15)10(11)9-17-18-13-7-2-1-3-8-16-13/h4-6,9H,1-3,7-8H2,(H,16,18) |
| InChIK | CLILYVNFIUCQNZ-UHFFFAOYSA-N |
| TotalMolweight | 284.189 |
| Molweight | 284.189 |
| MonoisotopicMass | 283.064301 |
| CLogP | 3.6956 |
| CLogS | -5.005 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 218.59 |
| Relative PSA | 0.15774 |
| PolarSurfaceArea | 36.75 |
| Druglikeness | -1.4967 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 5 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine | 2 - N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine
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