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

Formula:C22H14O3Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [2-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] 2-bromobenzoate is not a drug-like molecule.

MolName	[2-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] 2-bromobenzoate
MolecularFormula	C22H14O3Br2
Smiles	O=C(/C=C/c(cccc1)c1OC(c(cccc1)c1Br)=O)c(cc1)ccc1Br
InChI	InChI=1S/C22H14Br2O3/c23-17-12-9-15(10-13-17)20(25)14-11-16-5-1-4-8-21(16)27-22(26)18-6-2-3-7-19(18)24/h1-14H
InChIK	FCRRSXNGNLSDNO-UHFFFAOYSA-N
TotalMolweight	486.158
Molweight	486.158
MonoisotopicMass	483.930967
CLogP	6.1847
CLogS	-6.978
H Acceptors	3
TotalSurfaceArea	302.04
Relative PSA	0.11945
PolarSurfaceArea	43.37
Druglikeness	-1.7118
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-bromophenyl)-3-oxoprop-1-enyl]phenyl] 2-bromobenzoate | 2 - [2-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl] 2-bromobenzoate

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