(3E,5E)-2-amino-4-cyclopropyl-6-thiophen-2-ylhexa-1,3,5-triene-1,1,3-tricarbonitrile

Formula:C16H12N4S Mutagenic:none Tumorigenic:none Reproductive Effective:none (3E,5E)-2-amino-4-cyclopropyl-6-thiophen-2-ylhexa-1,3,5-triene-1,1,3-tricarbonitrile is a drug-like molecule.

MolName	(3E,5E)-2-amino-4-cyclopropyl-6-thiophen-2-ylhexa-1,3,5-triene-1,1,3-tricarbonitrile
MolecularFormula	C16H12N4S
Smiles	NC(/C(/C#N)=C(/C1CC1)\C=C\c1cccs1)=C(C#N)C#N
InChI	InChI=1S/C16H12N4S/c17-8-12(9-18)16(20)15(10-19)14(11-3-4-11)6-5-13-2-1-7-21-13/h1-2,5-7,11H,3-4,20H2
InChIK	RKVZDANKHFMVSY-UHFFFAOYSA-N
TotalMolweight	292.365
Molweight	292.365
MonoisotopicMass	292.078266
CLogP	3.2396
CLogS	-4.497
H Acceptors	4
H Donors	1
TotalSurfaceArea	241.71
Relative PSA	0.31571
PolarSurfaceArea	125.63
Druglikeness	-5.8359
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; 1,1-dinitrile
Shape Index	0.52381
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	3
Symmetricatoms	3
BasicNitrogens	1
StereoCon

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1 - (3E,5E)-2-amino-4-cyclopropyl-6-thiophen-2-ylhexa-1,3,5-triene-1,1,3-tricarbonitrile | 2 - (3E,5E)-2-amino-4-cyclopropyl-6-thiophen-2-ylhexa-1,3,5-triene-1,1,3-tricarbonitrile

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