(1R)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
Formula:C23H20N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(1R)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is a drug-like molecule.
| MolName | (1R)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide |
| MolecularFormula | C23H20N2O2 |
| Smiles | Oc1cccc(/C=N\NC([C@H](C2)C2(c2ccccc2)c2ccccc2)=O)c1 |
| InChI | InChI=1S/C23H20N2O2/c26-20-13-7-8-17(14-20)16-24-25-22(27)21-15-23(21,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-14,16,21,26H,15H2,(H,25,27)/t21-/m0/s1 |
| InChIK | PTOPZLVEIYTXNO-NRFANRHFSA-N |
| TotalMolweight | 356.424 |
| Molweight | 356.424 |
| MonoisotopicMass | 356.152478 |
| CLogP | 4.4621 |
| CLogS | -4.406 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 276.27 |
| Relative PSA | 0.17776 |
| PolarSurfaceArea | 61.69 |
| Druglikeness | 5.5898 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| StereoCon | this enantiomer |
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1 - (1R)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide | 2 - (1R)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
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