N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine
Formula:C17H24N4O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine is a drug-like molecule.
| MolName | N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine |
| MolecularFormula | C17H24N4O |
| Smiles | C(COCC1)N1c1ccc(/C=N\NC2=NCCCCC2)cc1 |
| InChI | InChI=1S/C17H24N4O/c1-2-4-17(18-9-3-1)20-19-14-15-5-7-16(8-6-15)21-10-12-22-13-11-21/h5-8,14H,1-4,9-13H2,(H,18,20) |
| InChIK | IXQAOAVLQZZTDR-UHFFFAOYSA-N |
| TotalMolweight | 300.405 |
| Molweight | 300.405 |
| MonoisotopicMass | 300.195011 |
| CLogP | 2.1526 |
| CLogS | -3.636 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 249.59 |
| Relative PSA | 0.19244 |
| PolarSurfaceArea | 49.22 |
| Druglikeness | -1.0163 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 10 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine | 2 - N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]-3,4,5,6-tetrahydro-2H-azepin-7-amine
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