2-[[(E)-2-cyano-3-(2-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

Formula:C19H16N4O4S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-2-cyano-3-(2-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is a drug-like molecule.

MolName	2-[[(E)-2-cyano-3-(2-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
MolecularFormula	C19H16N4O4S
Smiles	NC(c1c(NC(/C(/C#N)=C/c(cccc2)c2[N+]([O-])=O)=O)sc2c1CCCC2)=O
InChI	InChI=1S/C19H16N4O4S/c20-10-12(9-11-5-1-3-7-14(11)23(26)27)18(25)22-19-16(17(21)24)13-6-2-4-8-15(13)28-19/h1,3,5,7,9H,2,4,6,8H2,(H2,21,24)(H,22,25)
InChIK	QLXXQUOQMXQEBN-UHFFFAOYSA-N
TotalMolweight	396.426
Molweight	396.426
MonoisotopicMass	396.089226
CLogP	2.367
CLogS	-5.571
H Acceptors	8
H Donors	2
TotalSurfaceArea	296.07
Relative PSA	0.39568
PolarSurfaceArea	170.04
Druglikeness	-9.4233
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Amides	2
AcidicOxygens	1
StereoCon

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1 - 2-[[(E)-2-cyano-3-(2-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide | 2 - 2-[[(E)-2-cyano-3-(2-nitrophenyl)prop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

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