(2E)-1,1-dioxo-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1-benzothiophen-3-one

Formula:C18H12N2O3S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-1,1-dioxo-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1-benzothiophen-3-one is a drug-like molecule.

MolName	(2E)-1,1-dioxo-2-[(5-phenyl-1H-pyrazol-4-yl)methylidene]-1-benzothiophen-3-one
MolecularFormula	C18H12N2O3S
Smiles	O=C(/C1=C\c2c(-c3ccccc3)[nH]nc2)c(cccc2)c2S1(=O)=O
InChI	InChI=1S/C18H12N2O3S/c21-18-14-8-4-5-9-15(14)24(22,23)16(18)10-13-11-19-20-17(13)12-6-2-1-3-7-12/h1-11H,(H,19,20)
InChIK	VKQZKYDKBDNVLF-UHFFFAOYSA-N
TotalMolweight	336.37
Molweight	336.37
MonoisotopicMass	336.056863
CLogP	1.8797
CLogS	-4.676
H Acceptors	5
H Donors	1
TotalSurfaceArea	238.65
Relative PSA	0.27899
PolarSurfaceArea	88.27
Druglikeness	3.9143
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	3
Aromatic Nitrogens	2
StereoCon

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