(1R,2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
Formula:C17H15N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1R,2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide is a drug-like molecule.
| MolName | (1R,2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide |
| MolecularFormula | C17H15N2OCl |
| Smiles | O=C([C@H](C1)[C@@H]1c1ccccc1)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C17H15ClN2O/c18-16-9-5-4-8-13(16)11-19-20-17(21)15-10-14(15)12-6-2-1-3-7-12/h1-9,11,14-15H,10H2,(H,20,21)/t14-,15-/m1/s1 |
| InChIK | WWZOBBGYGVCBFN-HUUCEWRRSA-N |
| TotalMolweight | 298.772 |
| Molweight | 298.772 |
| MonoisotopicMass | 298.08729 |
| CLogP | 4.4263 |
| CLogS | -5.036 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 227.67 |
| Relative PSA | 0.15817 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 5.6336 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
Click to Load Molecule:
1 - (1R,2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide | 2 - (1R,2R)-N-[(Z)-(2-chlorophenyl)methylideneamino]-2-phenylcyclopropane-1-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off