Molecule

ID:99831

General Information
Structure
MolImage
Molecular Formula
C₇H₇BrFNO
Molecular Mass
220.0389832
Exact Mass
218.96950407
Charge
0
InChI
InChI=1S/C7H7BrFNO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,10H2,1H3
InChIKey
DPALOVXCAGMEBU-UHFFFAOYSA-N
Canonic Smiles
COc1c(F)cc(cc1Br)N
Isomeric Smiles
O(c1c(cc(cc1F)N)Br)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8951895
LogD (pH = 7.4)
1.8980664
Log P
1.8981031
Molar Refractivity
45.0608
Polarizability
16.693884
Polar Surface Area
35.25
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
No Data Available
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Molecule Details
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References
Bioactivity
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