(1R)-N-[(Z)-naphthalen-1-ylmethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
Formula:C27H22N2O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(1R)-N-[(Z)-naphthalen-1-ylmethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide is not a drug-like molecule.
| MolName | (1R)-N-[(Z)-naphthalen-1-ylmethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide |
| MolecularFormula | C27H22N2O |
| Smiles | O=C([C@H](C1)C1(c1ccccc1)c1ccccc1)N/N=C\c1cccc2ccccc12 |
| InChI | InChI=1S/C27H22N2O/c30-26(29-28-19-21-12-9-11-20-10-7-8-17-24(20)21)25-18-27(25,22-13-3-1-4-14-22)23-15-5-2-6-16-23/h1-17,19,25H,18H2,(H,29,30)/t25-/m0/s1 |
| InChIK | ZQYVWFUYZABSRA-VWLOTQADSA-N |
| TotalMolweight | 390.485 |
| Molweight | 390.485 |
| MonoisotopicMass | 390.173213 |
| CLogP | 6.0022 |
| CLogS | -6.308 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 304.52 |
| Relative PSA | 0.11825 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 5.6169 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| StereoCon | this enantiomer |
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1 - (1R)-N-[(Z)-naphthalen-1-ylmethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide | 2 - (1R)-N-[(Z)-naphthalen-1-ylmethylideneamino]-2,2-diphenylcyclopropane-1-carboxamide
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