2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Formula:C18H16NO3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is a drug-like molecule.

MolName	2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
MolecularFormula	C18H16NO3S
Smiles	[O-]C(c1c(NC(/C=C/c2ccccc2)=O)sc2c1CCCC2)=O
InChI	InChI=1S/C18H17NO3S/c20-15(11-10-12-6-2-1-3-7-12)19-17-16(18(21)22)13-8-4-5-9-14(13)23-17/h1-3,6-7,10-11H,4-5,8-9H2,(H,19,20)(H,21,22)/p-1
InChIK	SDJSLSJBWUWELZ-UHFFFAOYSA-M
TotalMolweight	326.395
Molweight	326.395
MonoisotopicMass	326.085089
CLogP	1.7584
CLogS	-4.763
H Acceptors	4
H Donors	1
TotalSurfaceArea	251.49
Relative PSA	0.28701
PolarSurfaceArea	97.47
Druglikeness	-2.6864
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.56522
Fragments	1
Non HAtoms	23
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	5
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate | 2 - 2-[[(E)-3-phenylprop-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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