2-[5-[(Z)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzonitrile

Formula:C22H13N3O4 Mutagenic:high Tumorigenic:high Reproductive Effective:high 2-[5-[(Z)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzonitrile is a drug-like molecule.

MolName	2-[5-[(Z)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzonitrile
MolecularFormula	C22H13N3O4
Smiles	N#Cc(cccc1)c1-c1ccc(/C=C(/C(NC(N2c3ccccc3)=O)=O)\C2=O)o1
InChI	InChI=1S/C22H13N3O4/c23-13-14-6-4-5-9-17(14)19-11-10-16(29-19)12-18-20(26)24-22(28)25(21(18)27)15-7-2-1-3-8-15/h1-12H,(H,24,26,28)
InChIK	DALSTORSNFOQCT-UHFFFAOYSA-N
TotalMolweight	383.362
Molweight	383.362
MonoisotopicMass	383.090607
CLogP	2.9299
CLogS	-6.12
H Acceptors	7
H Donors	1
TotalSurfaceArea	290.4
Relative PSA	0.28168
PolarSurfaceArea	103.41
Druglikeness	1.2736
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51724
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Amides	2
StereoCon

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1 - 2-[5-[(Z)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzonitrile | 2 - 2-[5-[(Z)-(2,4,6-trioxo-1-phenyl-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzonitrile

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