(1S,2S)-2-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]cyclopropane-1-carboxamide
Formula:C19H18N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1S,2S)-2-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]cyclopropane-1-carboxamide is a drug-like molecule.
| MolName | (1S,2S)-2-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]cyclopropane-1-carboxamide |
| MolecularFormula | C19H18N2O |
| Smiles | O=C([C@@H](C1)[C@H]1c1ccccc1)N/N=C\C=C\c1ccccc1 |
| InChI | InChI=1S/C19H18N2O/c22-19(18-14-17(18)16-11-5-2-6-12-16)21-20-13-7-10-15-8-3-1-4-9-15/h1-13,17-18H,14H2,(H,21,22)/t17-,18-/m0/s1 |
| InChIK | VVVFAJGBMPGWSB-ROUUACIJSA-N |
| TotalMolweight | 290.365 |
| Molweight | 290.365 |
| MonoisotopicMass | 290.141913 |
| CLogP | 3.8386 |
| CLogS | -4.592 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 238.75 |
| Relative PSA | 0.15083 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 5.6377 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 2 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon | this enantiomer |
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1 - (1S,2S)-2-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]cyclopropane-1-carboxamide | 2 - (1S,2S)-2-phenyl-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]cyclopropane-1-carboxamide
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