N-[(Z)-furan-2-ylmethylideneamino]-2-phenylcyclopropane-1-carboxamide
Formula:C15H14N2O2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-2-phenylcyclopropane-1-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-2-phenylcyclopropane-1-carboxamide |
| MolecularFormula | C15H14N2O2 |
| Smiles | O=C(C(C1)C1c1ccccc1)N/N=C\c1ccco1 |
| InChI | InChI=1S/C15H14N2O2/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) |
| InChIK | QFXRPRZJDAYKGA-UHFFFAOYSA-N |
| TotalMolweight | 254.288 |
| Molweight | 254.288 |
| MonoisotopicMass | 254.105528 |
| CLogP | 3.009 |
| CLogS | -3.982 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 201.94 |
| Relative PSA | 0.24819 |
| PolarSurfaceArea | 54.6 |
| Druglikeness | 5.4222 |
| Mutagenic | high |
| 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 | unknown chirality |
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