(Z)-N-benzyl-2-cyano-3-(2-hydroxyphenyl)prop-2-enamide
Formula:C17H14N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(Z)-N-benzyl-2-cyano-3-(2-hydroxyphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (Z)-N-benzyl-2-cyano-3-(2-hydroxyphenyl)prop-2-enamide |
| MolecularFormula | C17H14N2O2 |
| Smiles | N#C/C(/C(NCc1ccccc1)=O)=C/c(cccc1)c1O |
| InChI | InChI=1S/C17H14N2O2/c18-11-15(10-14-8-4-5-9-16(14)20)17(21)19-12-13-6-2-1-3-7-13/h1-10,20H,12H2,(H,19,21) |
| InChIK | NLEANEJAFMILTD-UHFFFAOYSA-N |
| TotalMolweight | 278.31 |
| Molweight | 278.31 |
| MonoisotopicMass | 278.105528 |
| CLogP | 2.352 |
| CLogS | -3.29 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 228.76 |
| Relative PSA | 0.22364 |
| PolarSurfaceArea | 73.12 |
| Druglikeness | -1.2995 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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1 - (Z)-N-benzyl-2-cyano-3-(2-hydroxyphenyl)prop-2-enamide | 2 - (Z)-N-benzyl-2-cyano-3-(2-hydroxyphenyl)prop-2-enamide
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