(3Z)-2-amino-4-[5-(4-chlorophenyl)furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile

Formula:C17H9N4OCl Mutagenic:high Tumorigenic:high Reproductive Effective:none (3Z)-2-amino-4-[5-(4-chlorophenyl)furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile is a drug-like molecule.

MolName	(3Z)-2-amino-4-[5-(4-chlorophenyl)furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile
MolecularFormula	C17H9N4OCl
Smiles	NC(/C(/C#N)=C/c1ccc(-c(cc2)ccc2Cl)o1)=C(C#N)C#N
InChI	InChI=1S/C17H9ClN4O/c18-14-3-1-11(2-4-14)16-6-5-15(23-16)7-12(8-19)17(22)13(9-20)10-21/h1-7H,22H2
InChIK	VKVWBWFCTPBSQE-UHFFFAOYSA-N
TotalMolweight	320.738
Molweight	320.738
MonoisotopicMass	320.046488
CLogP	3.3368
CLogS	-5.731
H Acceptors	5
H Donors	1
TotalSurfaceArea	259.41
Relative PSA	0.27007
PolarSurfaceArea	110.53
Druglikeness	-7.5419
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; 1,1-dinitrile
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	4
BasicNitrogens	1
StereoCon

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