N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine
Formula:C14H17N3OF2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine is a drug-like molecule.
| MolName | N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine |
| MolecularFormula | C14H17N3OF2 |
| Smiles | FC(Oc1ccc(/C=N\NC2=NCCCCC2)cc1)F |
| InChI | InChI=1S/C14H17F2N3O/c15-14(16)20-12-7-5-11(6-8-12)10-18-19-13-4-2-1-3-9-17-13/h5-8,10,14H,1-4,9H2,(H,17,19) |
| InChIK | HCCGTTVKTRDMFJ-UHFFFAOYSA-N |
| TotalMolweight | 281.305 |
| Molweight | 281.305 |
| MonoisotopicMass | 281.133968 |
| CLogP | 2.653 |
| CLogS | -4.155 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 222.95 |
| Relative PSA | 0.19951 |
| PolarSurfaceArea | 45.98 |
| Druglikeness | -4.4916 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine | 2 - N-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine
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