2-[(2E)-3-oxo-2-[[4-(trifluoromethyl)phenyl]methylidene]-1,4-benzothiazin-4-yl]acetic acid

Formula:C18H12NO3F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(2E)-3-oxo-2-[[4-(trifluoromethyl)phenyl]methylidene]-1,4-benzothiazin-4-yl]acetic acid is a drug-like molecule.

MolName	2-[(2E)-3-oxo-2-[[4-(trifluoromethyl)phenyl]methylidene]-1,4-benzothiazin-4-yl]acetic acid
MolecularFormula	C18H12NO3F3S
Smiles	OC(CN(c(cccc1)c1S/C1=C/c2ccc(C(F)(F)F)cc2)C1=O)=O
InChI	InChI=1S/C18H12F3NO3S/c19-18(20,21)12-7-5-11(6-8-12)9-15-17(25)22(10-16(23)24)13-3-1-2-4-14(13)26-15/h1-9H,10H2,(H,23,24)
InChIK	TULYVIWNBQDZBU-UHFFFAOYSA-N
TotalMolweight	379.357
Molweight	379.357
MonoisotopicMass	379.048998
CLogP	2.5936
CLogS	-4.943
H Acceptors	4
H Donors	1
TotalSurfaceArea	257.09
Relative PSA	0.23424
PolarSurfaceArea	82.91
Druglikeness	-8.5605
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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