(2Z)-2-[[4-(5-chloro-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-1-benzothiophen-3-one

Formula:C18H13N2OClS Mutagenic:high Tumorigenic:low Reproductive Effective:none (2Z)-2-[[4-(5-chloro-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-1-benzothiophen-3-one is a drug-like molecule.

MolName	(2Z)-2-[[4-(5-chloro-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-1-benzothiophen-3-one
MolecularFormula	C18H13N2OClS
Smiles	O=C1c(cccc2)c2S/C1=C\c(cc1)ccc1N(CC1)N=C1Cl
InChI	InChI=1S/C18H13ClN2OS/c19-17-9-10-21(20-17)13-7-5-12(6-8-13)11-16-18(22)14-3-1-2-4-15(14)23-16/h1-8,11H,9-10H2
InChIK	OHGFACCKPZCZCO-UHFFFAOYSA-N
TotalMolweight	340.833
Molweight	340.833
MonoisotopicMass	340.04371
CLogP	3.4553
CLogS	-4.83
H Acceptors	3
TotalSurfaceArea	242.18
Relative PSA	0.18825
PolarSurfaceArea	57.97
Druglikeness	4.7204
Mutagenic	high
Tumorigenic	low
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-halogenide type
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	2
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
StereoCon

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1 - (2Z)-2-[[4-(5-chloro-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-1-benzothiophen-3-one | 2 - (2Z)-2-[[4-(5-chloro-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-1-benzothiophen-3-one

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