Molecule
ID:12008
General Information
Molecular Formula
C₃H₅BrFNO
Molecular Mass
169.9803032
Exact Mass
168.95385401
Charge
0
InChI
InChI=1S/C3H5BrFNO/c1-6-3(7)2(4)5/h2H,1H3,(H,6,7)
InChIKey
MINFGRMBJUDPPR-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)C(Br)F
Isomeric Smiles
C(=O)(C(F)Br)NC
Calculated Properties
JChem
Acid pKa
9.785593
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.16407289
LogD (pH = 7.4)
-0.16568202
Log P
-0.16405232
Molar Refractivity
27.2365
Polarizability
10.486332
Polar Surface Area
29.1
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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