Molecule

ID:65985

General Information
Structure
Molecular Formula
C₁₀H₇BrO₃
Molecular Mass
255.06478
Exact Mass
253.95785608
Charge
0
InChI
InChI=1S/C10H7BrO3/c1-13-10(12)9-4-6-2-3-7(11)5-8(6)14-9/h2-5H,1H3
InChIKey
SWFWGZFCUROKBN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc2c(o1)cc(cc2)Br
Isomeric Smiles
c1(oc2c(c1)ccc(c2)Br)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8246
LogD (pH = 7.4)
2.8246
Log P
2.8246
Molar Refractivity
54.4247
Polarizability
21.954706
Polar Surface Area
39.44
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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