(3E)-3-phenacylidene-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one

Formula:C16H18N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (3E)-3-phenacylidene-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one is a drug-like molecule.

MolName	(3E)-3-phenacylidene-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-one
MolecularFormula	C16H18N2O2
Smiles	O=C(/C=C1/NC(CCCC2)C2NC1=O)c1ccccc1
InChI	InChI=1S/C16H18N2O2/c19-15(11-6-2-1-3-7-11)10-14-16(20)18-13-9-5-4-8-12(13)17-14/h1-3,6-7,10,12-13,17H,4-5,8-9H2,(H,18,20)
InChIK	QKVJOKKWKKPHSA-UHFFFAOYSA-N
TotalMolweight	270.331
Molweight	270.331
MonoisotopicMass	270.136828
CLogP	1.3322
CLogS	-3.53
H Acceptors	4
H Donors	2
TotalSurfaceArea	209.43
Relative PSA	0.23397
PolarSurfaceArea	58.2
Druglikeness	-0.99764
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	20
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	2
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	2
Amides	1
StereoCon	unknown chirality

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