(E)-2-benzoyl-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile
Molecular Formula : C18H13NO2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : high |(E)-2-benzoyl-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile is a drug-like molecule.
MolName : (E)-2-benzoyl-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enenitrile |
MolecularFormula : C18H13NO2 |
Smiles : N#C/C(/C(c1ccccc1)=O)=C\c(cc1)cc2c1OCC2 |
InChI : InChI=1S/C18H13NO2/c19-12-16(18(20)14-4-2-1-3-5-14)11-13-6-7-17-15(10-13)8-9-21-17/h1-7,10-11H,8-9H2 |
InChIK : FBJOXKFEZLOSAU-UHFFFAOYSA-N |
TotalMolweight : 275.306 |
Molweight : 275.306 |
MonoisotopicMass : 275.094629 |
CLogP : 3.3816 |
CLogS : -4.479 |
H Acceptors : 3 |
TotalSurfaceArea : 221.21 |
Relative PSA : 0.16545 |
PolarSurfaceArea : 50.09 |
Druglikeness : -4.243 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : high |
Irritant : none |
Nasty Functions : twice activated DB |
Shape Index : 0.57143 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 3 |
Electronegative Atoms : 3 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 3 |
Symmetricatoms : 2 |
StereoCon : |