(Z)-3-(1,3-benzothiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]but-3-enoic acid

Formula:C18H12NO2F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-(1,3-benzothiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]but-3-enoic acid is a drug-like molecule.

MolName	(Z)-3-(1,3-benzothiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]but-3-enoic acid
MolecularFormula	C18H12NO2F3S
Smiles	OC(C/C(/c1nc(cccc2)c2s1)=C/c1ccc(C(F)(F)F)cc1)=O
InChI	InChI=1S/C18H12F3NO2S/c19-18(20,21)13-7-5-11(6-8-13)9-12(10-16(23)24)17-22-14-3-1-2-4-15(14)25-17/h1-9H,10H2,(H,23,24)
InChIK	UMLDKBVPAYHPDP-UHFFFAOYSA-N
TotalMolweight	363.358
Molweight	363.358
MonoisotopicMass	363.054083
CLogP	4.1206
CLogS	-4.268
H Acceptors	3
H Donors	1
TotalSurfaceArea	254.35
Relative PSA	0.22595
PolarSurfaceArea	78.43
Druglikeness	-5.391
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.52
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - (Z)-3-(1,3-benzothiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]but-3-enoic acid | 2 - (Z)-3-(1,3-benzothiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]but-3-enoic acid

Request More Details | (Z)-3-(1,3-benzothiazol-2-yl)-4-[4-(trifluoromethyl)phenyl]but-3-enoic acid

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments