(E)-3-(3-bromo-4-hydroxyphenyl)-2-cyano-N-cyclopentylprop-2-enamide
Formula:C15H15N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-bromo-4-hydroxyphenyl)-2-cyano-N-cyclopentylprop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3-bromo-4-hydroxyphenyl)-2-cyano-N-cyclopentylprop-2-enamide |
| MolecularFormula | C15H15N2O2Br |
| Smiles | N#C/C(/C(NC1CCCC1)=O)=C\c(cc1)cc(Br)c1O |
| InChI | InChI=1S/C15H15BrN2O2/c16-13-8-10(5-6-14(13)19)7-11(9-17)15(20)18-12-3-1-2-4-12/h5-8,12,19H,1-4H2,(H,18,20) |
| InChIK | XJIWRJOSSPPENP-UHFFFAOYSA-N |
| TotalMolweight | 335.2 |
| Molweight | 335.2 |
| MonoisotopicMass | 334.031689 |
| CLogP | 2.8728 |
| CLogS | -4.105 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 227.91 |
| Relative PSA | 0.22447 |
| PolarSurfaceArea | 73.12 |
| Druglikeness | -5.2963 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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