2-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Formula:C16H14N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is a drug-like molecule.

MolName	2-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
MolecularFormula	C16H14N2O2S
Smiles	N#Cc1c(N/C=C/C(c2ccco2)=O)sc2c1CCCC2
InChI	InChI=1S/C16H14N2O2S/c17-10-12-11-4-1-2-6-15(11)21-16(12)18-8-7-13(19)14-5-3-9-20-14/h3,5,7-9,18H,1-2,4,6H2
InChIK	QKJKRRQLWGGCLU-UHFFFAOYSA-N
TotalMolweight	298.365
Molweight	298.365
MonoisotopicMass	298.077598
CLogP	2.7118
CLogS	-5.493
H Acceptors	4
H Donors	1
TotalSurfaceArea	237.61
Relative PSA	0.30525
PolarSurfaceArea	94.27
Druglikeness	-6.536
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	4
StereoCon

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1 - 2-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile | 2 - 2-[[(E)-3-(furan-2-yl)-3-oxoprop-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

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