[2-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] 2-bromobenzoate

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

MolName	[2-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] 2-bromobenzoate
MolecularFormula	C22H14O3BrCl
Smiles	O=C(/C=C/c(cccc1)c1OC(c(cccc1)c1Br)=O)c(cc1)ccc1Cl
InChI	InChI=1S/C22H14BrClO3/c23-19-7-3-2-6-18(19)22(26)27-21-8-4-1-5-16(21)11-14-20(25)15-9-12-17(24)13-10-15/h1-14H
InChIK	GGBBMSWLFJOFMQ-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	0.59259
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	2
StereoCon

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1 - [2-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] 2-bromobenzoate | 2 - [2-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] 2-bromobenzoate

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