(Z)-2-(1,3-benzothiazol-2-yl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile

Formula:C21H11N2OF3S Mutagenic:high Tumorigenic:high Reproductive Effective:none (Z)-2-(1,3-benzothiazol-2-yl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile is not a drug-like molecule.

MolName	(Z)-2-(1,3-benzothiazol-2-yl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile
MolecularFormula	C21H11N2OF3S
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C/c1ccc(-c2cc(C(F)(F)F)ccc2)o1
InChI	InChI=1S/C21H11F3N2OS/c22-21(23,24)15-5-3-4-13(10-15)18-9-8-16(27-18)11-14(12-25)20-26-17-6-1-2-7-19(17)28-20/h1-11H
InChIK	BHMINWATBQCYAR-UHFFFAOYSA-N
TotalMolweight	396.391
Molweight	396.391
MonoisotopicMass	396.054417
CLogP	5.127
CLogS	-6.131
H Acceptors	3
TotalSurfaceArea	287.65
Relative PSA	0.20511
PolarSurfaceArea	78.06
Druglikeness	-9.1359
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

Click to Load Molecule:

1 - (Z)-2-(1,3-benzothiazol-2-yl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile | 2 - (Z)-2-(1,3-benzothiazol-2-yl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile

Request More Details | (Z)-2-(1,3-benzothiazol-2-yl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments