2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]cyclopropane-1-carboxamide
Formula:C16H15N3O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]cyclopropane-1-carboxamide is a drug-like molecule.
| MolName | 2-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]cyclopropane-1-carboxamide |
| MolecularFormula | C16H15N3O |
| Smiles | O=C(C(C1)C1c1ccccc1)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C16H15N3O/c20-16(19-18-11-12-5-4-8-17-10-12)15-9-14(15)13-6-2-1-3-7-13/h1-8,10-11,14-15H,9H2,(H,19,20) |
| InChIK | YFGOGDHLFDCVHJ-UHFFFAOYSA-N |
| TotalMolweight | 265.315 |
| Molweight | 265.315 |
| MonoisotopicMass | 265.121512 |
| CLogP | 2.8194 |
| CLogS | -3.505 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 211.01 |
| Relative PSA | 0.22264 |
| PolarSurfaceArea | 54.35 |
| Druglikeness | 5.6169 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon | unknown chirality |
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