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

Formula:C20H12O3BrClS Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-chloro-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 2-bromobenzoate is not a drug-like molecule.

MolName	[4-chloro-2-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl] 2-bromobenzoate
MolecularFormula	C20H12O3BrClS
Smiles	O=C(/C=C/c1cccs1)c(cc(cc1)Cl)c1OC(c(cccc1)c1Br)=O
InChI	InChI=1S/C20H12BrClO3S/c21-17-6-2-1-5-15(17)20(24)25-19-10-7-13(22)12-16(19)18(23)9-8-14-4-3-11-26-14/h1-12H
InChIK	ZNEXTHWTEFPJDX-UHFFFAOYSA-N
TotalMolweight	447.735
Molweight	447.735
MonoisotopicMass	445.937903
CLogP	5.9321
CLogS	-6.89
H Acceptors	3
TotalSurfaceArea	294.77
Relative PSA	0.19147
PolarSurfaceArea	71.61
Druglikeness	0.62328
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
StereoCon

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