(E)-2-(1-benzothiophene-3-carbonyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile

Formula:C19H10NOF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1-benzothiophene-3-carbonyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1-benzothiophene-3-carbonyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
MolecularFormula	C19H10NOF3S
Smiles	N#C/C(/C(c1csc2c1cccc2)=O)=C\c1ccc(C(F)(F)F)cc1
InChI	InChI=1S/C19H10F3NOS/c20-19(21,22)14-7-5-12(6-8-14)9-13(10-23)18(24)16-11-25-17-4-2-1-3-15(16)17/h1-9,11H
InChIK	HNSIBCDXPCAHFJ-UHFFFAOYSA-N
TotalMolweight	357.354
Molweight	357.354
MonoisotopicMass	357.043518
CLogP	4.8431
CLogS	-6.129
H Acceptors	2
TotalSurfaceArea	257.19
Relative PSA	0.18259
PolarSurfaceArea	69.1
Druglikeness	-10.58
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.56
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Symmetricatoms	4
StereoCon

Click to Load Molecule:

1 - (E)-2-(1-benzothiophene-3-carbonyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile | 2 - (E)-2-(1-benzothiophene-3-carbonyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile

Request More Details | (E)-2-(1-benzothiophene-3-carbonyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments