Molecule

ID:88427

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀Br₂O₃
Molecular Mass
386.0354
Exact Mass
383.89966818
Charge
0
InChI
InChI=1S/C14H10Br2O3/c15-11-5-1-9(2-6-11)14(19,13(17)18)10-3-7-12(16)8-4-10/h1-8,19H,(H,17,18)
InChIKey
LHCOZCRYTQNSBL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccc(cc1)Br)(c1ccc(cc1)Br)O
Isomeric Smiles
O=C(C(c1ccc(cc1)Br)(c1ccc(cc1)Br)O)O
Calculated Properties
JChem
Acid pKa
2.2031868
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.99811924
LogD (pH = 7.4)
0.5748217
Log P
4.0950522
Molar Refractivity
78.7277
Polarizability
30.51145
Polar Surface Area
57.53
Rotatable Bonds
3
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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