Molecule

ID:22428

General Information
Structure
MolImage
Molecular Formula
C₇H₆BrFO
Molecular Mass
205.0243432
Exact Mass
203.95860503
Charge
0
InChI
InChI=1S/C7H6BrFO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
InChIKey
RLSQPLJXDTXSCL-UHFFFAOYSA-N
Canonic Smiles
COc1c(F)cccc1Br
Isomeric Smiles
COc1c(cccc1F)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.727029
LogD (pH = 7.4)
2.727029
Log P
2.727029
Molar Refractivity
40.3604
Polarizability
15.514619
Polar Surface Area
9.23
Rotatable Bonds
1
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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