[(E)-3-phenylprop-2-enyl] N'-[(Z)-benzylideneamino]carbamimidate
Formula:C17H17N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-3-phenylprop-2-enyl] N'-[(Z)-benzylideneamino]carbamimidate is a drug-like molecule.
| MolName | [(E)-3-phenylprop-2-enyl] N'-[(Z)-benzylideneamino]carbamimidate |
| MolecularFormula | C17H17N3O |
| Smiles | N/C(/OC/C=C/c1ccccc1)=N/N=C\c1ccccc1 |
| InChI | InChI=1S/C17H17N3O/c18-17(20-19-14-16-10-5-2-6-11-16)21-13-7-12-15-8-3-1-4-9-15/h1-12,14H,13H2,(H2,18,20) |
| InChIK | PMNLGKLHMQHPAB-UHFFFAOYSA-N |
| TotalMolweight | 279.342 |
| Molweight | 279.342 |
| MonoisotopicMass | 279.137162 |
| CLogP | 4.8783 |
| CLogS | -4.882 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 239.53 |
| Relative PSA | 0.2016 |
| PolarSurfaceArea | 59.97 |
| Druglikeness | 1.0999 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.7619 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon |
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