2-(2-chlorophenoxy)ethyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate

Formula:C21H22NO6ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(2-chlorophenoxy)ethyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate is a drug-like molecule.

MolName	2-(2-chlorophenoxy)ethyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
MolecularFormula	C21H22NO6ClS
Smiles	O=C(/C=C/c(cc1)ccc1S(N1CCOCC1)(=O)=O)OCCOc(cccc1)c1Cl
InChI	InChI=1S/C21H22ClNO6S/c22-19-3-1-2-4-20(19)28-15-16-29-21(24)10-7-17-5-8-18(9-6-17)30(25,26)23-11-13-27-14-12-23/h1-10H,11-16H2
InChIK	GWPIIJOKZXEFDL-UHFFFAOYSA-N
TotalMolweight	451.926
Molweight	451.926
MonoisotopicMass	451.085636
CLogP	2.9756
CLogS	-3.319
H Acceptors	7
TotalSurfaceArea	330.63
Relative PSA	0.22735
PolarSurfaceArea	90.52
Druglikeness	-6.0833
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	5
Amides	1
StereoCon

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