5,6-bis[(E)-2-oxo-4-phenylbut-3-enyl]pyrazine-2,3-dicarbonitrile

Formula:C26H18N4O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5,6-bis[(E)-2-oxo-4-phenylbut-3-enyl]pyrazine-2,3-dicarbonitrile is a drug-like molecule.

MolName	5,6-bis[(E)-2-oxo-4-phenylbut-3-enyl]pyrazine-2,3-dicarbonitrile
MolecularFormula	C26H18N4O2
Smiles	N#Cc1c(C#N)nc(CC(/C=C/c2ccccc2)=O)c(CC(/C=C/c2ccccc2)=O)n1
InChI	InChI=1S/C26H18N4O2/c27-17-25-26(18-28)30-24(16-22(32)14-12-20-9-5-2-6-10-20)23(29-25)15-21(31)13-11-19-7-3-1-4-8-19/h1-14H,15-16H2
InChIK	TTXYRZMNNLBZJX-UHFFFAOYSA-N
TotalMolweight	418.455
Molweight	418.455
MonoisotopicMass	418.142976
CLogP	3.4128
CLogS	-5.598
H Acceptors	6
TotalSurfaceArea	349.74
Relative PSA	0.21485
PolarSurfaceArea	107.5
Druglikeness	-3.727
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	18
Aromatic Nitrogens	2
StereoCon

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