Molecule

ID:98408

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁BrF₂O
Molecular Mass
265.0945464
Exact Mass
263.99613341
Charge
0
InChI
InChI=1S/C10H11BrF2O/c1-2-3-6-14-8-5-4-7(11)9(12)10(8)13/h4-5H,2-3,6H2,1H3
InChIKey
VZOZRBSBWHDDHS-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(c(c1F)F)Br
Isomeric Smiles
O(c1c(c(c(cc1)Br)F)F)CCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.19363
LogD (pH = 7.4)
4.19363
Log P
4.19363
Molar Refractivity
54.4504
Polarizability
20.761375
Polar Surface Area
9.23
Rotatable Bonds
4
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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