(3Z)-3-phenacylidene-2,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
Molecular Formula : C20H18N2O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(3Z)-3-phenacylidene-2,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one is a drug-like molecule.
MolName : (3Z)-3-phenacylidene-2,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one |
MolecularFormula : C20H18N2O2 |
Smiles : O=C(/C=C1\NCC(c2c(CC3)cccc2)N3C1=O)c1ccccc1 |
InChI : InChI=1S/C20H18N2O2/c23-19(15-7-2-1-3-8-15)12-17-20(24)22-11-10-14-6-4-5-9-16(14)18(22)13-21-17/h1-9,12,18,21H,10-11,13H2/t18-/m0/s1 |
InChIK : NVBGHBKKCNCNGK-SFHVURJKSA-N |
TotalMolweight : 318.375 |
Molweight : 318.375 |
MonoisotopicMass : 318.136828 |
CLogP : 2.3071 |
CLogS : -3.229 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 241.77 |
Relative PSA : 0.16995 |
PolarSurfaceArea : 49.41 |
Druglikeness : 5.5495 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.58333 |
Fragments : 1 |
Non HAtoms : 24 |
NonCHAtoms : 4 |
Electronegative Atoms : 4 |
StereoCenters : 1 |
Rotatable Bond : 2 |
Rings Closures : 4 |
Small Rings : 4 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
Symmetricatoms : 2 |
Amides : 1 |
StereoCon : racemate |