Molecule

ID:77404

General Information
Structure
Molecular Formula
C₈H₇Br₃O
Molecular Mass
358.85258
Exact Mass
355.80470084
Charge
0
InChI
InChI=1S/C8H7Br3O/c9-3-4-12-8-5-6(10)1-2-7(8)11/h1-2,5H,3-4H2
InChIKey
GYEXZRRSPGQVFH-UHFFFAOYSA-N
Canonic Smiles
BrCCOc1cc(Br)ccc1Br
Isomeric Smiles
Brc1c(cc(cc1)Br)OCCBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.203065
LogD (pH = 7.4)
4.203065
Log P
4.203065
Molar Refractivity
60.0936
Polarizability
23.599869
Polar Surface Area
9.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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