[4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] 2-chlorobenzoate

Formula:C22H14O3BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.

MolName	[4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] 2-chlorobenzoate
MolecularFormula	C22H14O3BrCl
Smiles	O=C(/C=C/c(cc1)ccc1OC(c(cccc1)c1Cl)=O)c(cc1)ccc1Br
InChI	InChI=1S/C22H14BrClO3/c23-17-10-8-16(9-11-17)21(25)14-7-15-5-12-18(13-6-15)27-22(26)19-3-1-2-4-20(19)24/h1-14H
InChIK	JEWPSEJNRQZJKS-UHFFFAOYSA-N
TotalMolweight	441.707
Molweight	441.707
MonoisotopicMass	439.981483
CLogP	6.0655
CLogS	-6.88
H Acceptors	3
TotalSurfaceArea	298.83
Relative PSA	0.12074
PolarSurfaceArea	43.37
Druglikeness	-1.6081
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	4
StereoCon

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1 - [4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] 2-chlorobenzoate | 2 - [4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] 2-chlorobenzoate

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