Molecule
ID:60248
General Information
Molecular Formula
C₄H₈BrNO
Molecular Mass
166.01642
Exact Mass
164.97892588
Charge
0
InChI
InChI=1S/C4H8BrNO/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H2,6,7)
InChIKey
AKSLRYGHJVUELA-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)N)Br
Isomeric Smiles
C(=O)(C(Br)CC)N
Calculated Properties
JChem
Acid pKa
13.5841055
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.7838374
LogD (pH = 7.4)
0.7838376
Log P
0.7838374
Molar Refractivity
31.2205
Polarizability
12.239063
Polar Surface Area
43.09
Rotatable Bonds
2
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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