(Z)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(furan-2-yl)prop-2-enamide
Molecular Formula : C17H17NO3 | Mutagenic : high | Tumorigenic : none | Reproductive Effective : none |(Z)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.
MolName : (Z)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(furan-2-yl)prop-2-enamide |
MolecularFormula : C17H17NO3 |
Smiles : O=C(/C=C\c1ccco1)NCC1OCCc2c1cccc2 |
InChI : InChI=1S/C17H17NO3/c19-17(8-7-14-5-3-10-20-14)18-12-16-15-6-2-1-4-13(15)9-11-21-16/h1-8,10,16H,9,11-12H2,(H,18,19)/t16-/m0/s1 |
InChIK : COMWIFTWQXILEG-INIZCTEOSA-N |
TotalMolweight : 283.326 |
Molweight : 283.326 |
MonoisotopicMass : 283.120844 |
CLogP : 2.1486 |
CLogS : -3.037 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 228.7 |
Relative PSA : 0.21255 |
PolarSurfaceArea : 51.47 |
Druglikeness : 0.72175 |
Mutagenic : high |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.61905 |
Fragments : 1 |
Non HAtoms : 21 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
StereoCenters : 1 |
Rotatable Bond : 4 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 5 |
Amides : 1 |
StereoCon : racemate |