N-[(Z)-naphthalen-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
Formula:C16H18N4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-naphthalen-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-naphthalen-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine |
| MolecularFormula | C16H18N4 |
| Smiles | C1CNC(N/N=C\c2cc3ccccc3cc2)=NCC1 |
| InChI | InChI=1S/C16H18N4/c1-2-6-15-11-13(7-8-14(15)5-1)12-19-20-16-17-9-3-4-10-18-16/h1-2,5-8,11-12H,3-4,9-10H2,(H2,17,18,20) |
| InChIK | CRZIFQBLHXXMCS-UHFFFAOYSA-N |
| TotalMolweight | 266.347 |
| Molweight | 266.347 |
| MonoisotopicMass | 266.153146 |
| CLogP | 3.2922 |
| CLogS | -5.078 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 220.05 |
| Relative PSA | 0.20877 |
| PolarSurfaceArea | 48.78 |
| Druglikeness | 3.1515 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - N-[(Z)-naphthalen-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine | 2 - N-[(Z)-naphthalen-2-ylmethylideneamino]-4,5,6,7-tetrahydro-1H-1,3-diazepin-2-amine
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