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

Formula:C18H8N4OClF3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (3Z)-2-amino-4-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile is a drug-like molecule.

MolName	(3Z)-2-amino-4-[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile
MolecularFormula	C18H8N4OClF3
Smiles	NC(/C(/C#N)=C/c1ccc(-c(cc(C(F)(F)F)cc2)c2Cl)o1)=C(C#N)C#N
InChI	InChI=1S/C18H8ClF3N4O/c19-15-3-1-12(18(20,21)22)6-14(15)16-4-2-13(27-16)5-10(7-23)17(26)11(8-24)9-25/h1-6H,26H2
InChIK	GGIRBULIWJTGIM-UHFFFAOYSA-N
TotalMolweight	388.736
Molweight	388.736
MonoisotopicMass	388.033872
CLogP	4.1851
CLogS	-6.509
H Acceptors	5
H Donors	1
TotalSurfaceArea	288.87
Relative PSA	0.24253
PolarSurfaceArea	110.53
Druglikeness	-14.732
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	high
Nasty Functions	twice activated DB; 1,1-dinitrile
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	1
Symmetricatoms	4
BasicNitrogens	1
StereoCon

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

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