(1R,2R)-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]cyclopropane-1-carboxamide
Formula:C15H14N2OS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1R,2R)-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]cyclopropane-1-carboxamide is a drug-like molecule.
| MolName | (1R,2R)-2-phenyl-N-[(Z)-thiophen-2-ylmethylideneamino]cyclopropane-1-carboxamide |
| MolecularFormula | C15H14N2OS |
| Smiles | O=C([C@H](C1)[C@@H]1c1ccccc1)N/N=C\c1cccs1 |
| InChI | InChI=1S/C15H14N2OS/c18-15(17-16-10-12-7-4-8-19-12)14-9-13(14)11-5-2-1-3-6-11/h1-8,10,13-14H,9H2,(H,17,18)/t13-,14-/m1/s1 |
| InChIK | HRCBXACBJFTMIL-ZIAGYGMSSA-N |
| TotalMolweight | 270.355 |
| Molweight | 270.355 |
| MonoisotopicMass | 270.082683 |
| CLogP | 3.6869 |
| CLogS | -4.31 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 208.19 |
| Relative PSA | 0.27076 |
| PolarSurfaceArea | 69.7 |
| Druglikeness | 7.0731 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon | this enantiomer |
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