(2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one

Formula:C16H10NOF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one is a drug-like molecule.

MolName	(2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one
MolecularFormula	C16H10NOF3S
Smiles	O=C1Nc(cccc2)c2S/C1=C/c1c(C(F)(F)F)cccc1
InChI	InChI=1S/C16H10F3NOS/c17-16(18,19)11-6-2-1-5-10(11)9-14-15(21)20-12-7-3-4-8-13(12)22-14/h1-9H,(H,20,21)
InChIK	MPOYICXOCNFHJL-UHFFFAOYSA-N
TotalMolweight	321.321
Molweight	321.321
MonoisotopicMass	321.043518
CLogP	3.1053
CLogS	-5.192
H Acceptors	2
H Donors	1
TotalSurfaceArea	220.39
Relative PSA	0.19053
PolarSurfaceArea	54.4
Druglikeness	-4.4872
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	22
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

Click to Load Molecule:

1 - (2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one | 2 - (2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one

Request More Details | (2E)-2-[[2-(trifluoromethyl)phenyl]methylidene]-4H-1,4-benzothiazin-3-one

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments