phenyl N-[(E)-2-cyano-3-phenylprop-2-enoyl]carbamate
Formula:C17H12N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
phenyl N-[(E)-2-cyano-3-phenylprop-2-enoyl]carbamate is a drug-like molecule.
| MolName | phenyl N-[(E)-2-cyano-3-phenylprop-2-enoyl]carbamate |
| MolecularFormula | C17H12N2O3 |
| Smiles | N#C/C(/C(NC(Oc1ccccc1)=O)=O)=C\c1ccccc1 |
| InChI | InChI=1S/C17H12N2O3/c18-12-14(11-13-7-3-1-4-8-13)16(20)19-17(21)22-15-9-5-2-6-10-15/h1-11H,(H,19,20,21) |
| InChIK | UATAWJLLMSZOSV-UHFFFAOYSA-N |
| TotalMolweight | 292.293 |
| Molweight | 292.293 |
| MonoisotopicMass | 292.084793 |
| CLogP | 3.057 |
| CLogS | -4.189 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 236.4 |
| Relative PSA | 0.25846 |
| PolarSurfaceArea | 79.19 |
| Druglikeness | -15.279 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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