Molecule

ID:9657

General Information
Structure
Molecular Formula
C₁₃H₁₀BrFO
Molecular Mass
281.1203032
Exact Mass
279.98990516
Charge
0
InChI
InChI=1S/C13H10BrFO/c14-9-10-2-1-3-13(8-10)16-12-6-4-11(15)5-7-12/h1-8H,9H2
InChIKey
JGFSTQUUDSBQCO-UHFFFAOYSA-N
Canonic Smiles
BrCc1cccc(c1)Oc1ccc(cc1)F
Isomeric Smiles
c1cc(cc(c1)CBr)Oc1ccc(cc1)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3889723
LogD (pH = 7.4)
4.3889723
Log P
4.3889723
Molar Refractivity
65.3656
Polarizability
24.843378
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
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Molecule Details
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References
Bioactivity
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