[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate

Formula:C17H21NO3S Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate is a drug-like molecule.

MolName	[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
MolecularFormula	C17H21NO3S
Smiles	O=C(COC(/C=C/c1cccs1)=O)NCCC1=CCCCC1
InChI	InChI=1S/C17H21NO3S/c19-16(18-11-10-14-5-2-1-3-6-14)13-21-17(20)9-8-15-7-4-12-22-15/h4-5,7-9,12H,1-3,6,10-11,13H2,(H,18,19)
InChIK	XVSZHOBFWAYFEF-UHFFFAOYSA-N
TotalMolweight	319.424
Molweight	319.424
MonoisotopicMass	319.124214
CLogP	2.9524
CLogS	-3.536
H Acceptors	4
H Donors	1
TotalSurfaceArea	260.19
Relative PSA	0.26096
PolarSurfaceArea	83.64
Druglikeness	-3.3899
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72727
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	8
Amides	1
StereoCon

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