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

Formula:C22H12N3O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high 4-[5-[(Z)-[1-(3-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzonitrile is a drug-like molecule.

MolName	4-[5-[(Z)-[1-(3-chlorophenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzonitrile
MolecularFormula	C22H12N3O4Cl
Smiles	N#Cc(cc1)ccc1-c1ccc(/C=C(/C(NC(N2c3cccc(Cl)c3)=O)=O)\C2=O)o1
InChI	InChI=1S/C22H12ClN3O4/c23-15-2-1-3-16(10-15)26-21(28)18(20(27)25-22(26)29)11-17-8-9-19(30-17)14-6-4-13(12-24)5-7-14/h1-11H,(H,25,27,29)
InChIK	SWTCDASRLVAPNZ-UHFFFAOYSA-N
TotalMolweight	417.807
Molweight	417.807
MonoisotopicMass	417.051634
CLogP	3.5359
CLogS	-6.856
H Acceptors	7
H Donors	1
TotalSurfaceArea	305.82
Relative PSA	0.26748
PolarSurfaceArea	103.41
Druglikeness	1.326
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.56667
Fragments	1
Non HAtoms	30
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	2
Amides	2
StereoCon

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