Molecule

ID:20910

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃BrFNO
Molecular Mass
274.1294232
Exact Mass
273.01645426
Charge
0
InChI
InChI=1S/C11H13BrFNO/c12-8-3-4-11(10(13)6-8)15-9-2-1-5-14-7-9/h3-4,6,9,14H,1-2,5,7H2
InChIKey
ORBKYIDBCZAEFB-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)F)OC1CCCNC1
Isomeric Smiles
c1(c(cc(cc1)Br)F)OC1CNCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.3276031
LogD (pH = 7.4)
0.8480332
Log P
2.8281903
Molar Refractivity
60.296
Polarizability
23.541365
Polar Surface Area
21.26
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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