2-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Formula:C18H16N2OS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile is a drug-like molecule.

MolName	2-[[(E)-3-oxo-3-phenylprop-1-enyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
MolecularFormula	C18H16N2OS
Smiles	N#Cc1c(N/C=C/C(c2ccccc2)=O)sc2c1CCCC2
InChI	InChI=1S/C18H16N2OS/c19-12-15-14-8-4-5-9-17(14)22-18(15)20-11-10-16(21)13-6-2-1-3-7-13/h1-3,6-7,10-11,20H,4-5,8-9H2
InChIK	CTSHCOPXMIVHSC-UHFFFAOYSA-N
TotalMolweight	308.404
Molweight	308.404
MonoisotopicMass	308.098333
CLogP	3.5231
CLogS	-5.811
H Acceptors	3
H Donors	1
TotalSurfaceArea	247.92
Relative PSA	0.23564
PolarSurfaceArea	81.13
Druglikeness	-6.7864
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	4
Symmetricatoms	2
StereoCon

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

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