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

Formula:C17H8N4OCl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (3Z)-2-amino-4-[5-(3,5-dichlorophenyl)furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile is a drug-like molecule.

MolName	(3Z)-2-amino-4-[5-(3,5-dichlorophenyl)furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile
MolecularFormula	C17H8N4OCl2
Smiles	NC(/C(/C#N)=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)=C(C#N)C#N
InChI	InChI=1S/C17H8Cl2N4O/c18-13-3-10(4-14(19)6-13)16-2-1-15(24-16)5-11(7-20)17(23)12(8-21)9-22/h1-6H,23H2/b11-5+
InChIK	JZYSMYUGJJBCOJ-VZUCSPMQSA-N
TotalMolweight	355.184
Molweight	355.184
MonoisotopicMass	354.007515
CLogP	3.9428
CLogS	-6.467
H Acceptors	5
H Donors	1
TotalSurfaceArea	274.83
Relative PSA	0.25492
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	0.54167
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Symmetricatoms	5
BasicNitrogens	1
StereoCon

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

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