[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 4-chlorobenzoate

Formula:C20H13O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.

MolName	[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 4-chlorobenzoate
MolecularFormula	C20H13O3ClS
Smiles	O=C(/C=C/c1cccs1)c(cc1)ccc1OC(c(cc1)ccc1Cl)=O
InChI	InChI=1S/C20H13ClO3S/c21-16-7-3-15(4-8-16)20(23)24-17-9-5-14(6-10-17)19(22)12-11-18-2-1-13-25-18/h1-13H
InChIK	UJQNUUGJQCTGFT-UHFFFAOYSA-N
TotalMolweight	368.839
Molweight	368.839
MonoisotopicMass	368.027392
CLogP	5.2069
CLogS	-6.056
H Acceptors	3
TotalSurfaceArea	276.14
Relative PSA	0.20439
PolarSurfaceArea	71.61
Druglikeness	2.4133
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
StereoCon

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