(E)-3-(3-chloro-4-hydroxyphenyl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide
Formula:C15H15N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-chloro-4-hydroxyphenyl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3-chloro-4-hydroxyphenyl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide |
| MolecularFormula | C15H15N2O3Cl |
| Smiles | N#C/C(/C(NCC1OCCC1)=O)=C\c(cc1)cc(Cl)c1O |
| InChI | InChI=1S/C15H15ClN2O3/c16-13-7-10(3-4-14(13)19)6-11(8-17)15(20)18-9-12-2-1-5-21-12/h3-4,6-7,12,19H,1-2,5,9H2,(H,18,20)/t12-/m1/s1 |
| InChIK | LOMBWOPHFBYKLQ-GFCCVEGCSA-N |
| TotalMolweight | 306.748 |
| Molweight | 306.748 |
| MonoisotopicMass | 306.07712 |
| CLogP | 1.8397 |
| CLogS | -3.388 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 234.7 |
| Relative PSA | 0.26059 |
| PolarSurfaceArea | 82.35 |
| Druglikeness | -2.4754 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-3-(3-chloro-4-hydroxyphenyl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide | 2 - (E)-3-(3-chloro-4-hydroxyphenyl)-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off