(2Z)-2-[(3Z)-3-phenacylidene-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-ylidene]-1-phenylethanone

Formula:C24H24N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (2Z)-2-[(3Z)-3-phenacylidene-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-ylidene]-1-phenylethanone is a drug-like molecule.

MolName	(2Z)-2-[(3Z)-3-phenacylidene-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-ylidene]-1-phenylethanone
MolecularFormula	C24H24N2O2
Smiles	O=C(/C=C1\NC(CCCC2)C2N/C1=C\C(c1ccccc1)=O)c1ccccc1
InChI	InChI=1S/C24H24N2O2/c27-23(17-9-3-1-4-10-17)15-21-22(16-24(28)18-11-5-2-6-12-18)26-20-14-8-7-13-19(20)25-21/h1-6,9-12,15-16,19-20,25-26H,7-8,13-14H2
InChIK	RRRCNKSFZNYVIJ-UHFFFAOYSA-N
TotalMolweight	372.467
Molweight	372.467
MonoisotopicMass	372.183778
CLogP	3.3196
CLogS	-5.614
H Acceptors	4
H Donors	2
TotalSurfaceArea	293.9
Relative PSA	0.16672
PolarSurfaceArea	58.2
Druglikeness	-3.091
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	4
Electronegative Atoms	4
StereoCenters	2
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	16
StereoCon	unknown chirality

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1 - (2Z)-2-[(3Z)-3-phenacylidene-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-ylidene]-1-phenylethanone | 2 - (2Z)-2-[(3Z)-3-phenacylidene-1,4,4a,5,6,7,8,8a-octahydroquinoxalin-2-ylidene]-1-phenylethanone

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