(2E)-2-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-1-benzothiophen-3-one

Formula:C25H19NO2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (2E)-2-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-1-benzothiophen-3-one is a drug-like molecule.

MolName	(2E)-2-[[1-(2-phenoxyethyl)indol-3-yl]methylidene]-1-benzothiophen-3-one
MolecularFormula	C25H19NO2S
Smiles	O=C1c(cccc2)c2S/C1=C/c1cn(CCOc2ccccc2)c2c1cccc2
InChI	InChI=1S/C25H19NO2S/c27-25-21-11-5-7-13-23(21)29-24(25)16-18-17-26(22-12-6-4-10-20(18)22)14-15-28-19-8-2-1-3-9-19/h1-13,16-17H,14-15H2
InChIK	HMTHIBXNDKNYHX-UHFFFAOYSA-N
TotalMolweight	397.497
Molweight	397.497
MonoisotopicMass	397.113649
CLogP	4.5166
CLogS	-5.899
H Acceptors	3
TotalSurfaceArea	300.55
Relative PSA	0.15771
PolarSurfaceArea	56.53
Druglikeness	3.8845
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	4
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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