Molecule

ID:82004

General Information
Structure
Molecular Formula
C₅H₇BrN₂O₂
Molecular Mass
207.02528
Exact Mass
205.96908947
Charge
0
InChI
InChI=1S/C5H7BrN2O2/c1-8-2-3(6)4(9)7-5(8)10/h3H,2H2,1H3,(H,7,9,10)
InChIKey
XFSLGQCCNDHVAV-UHFFFAOYSA-N
Canonic Smiles
BrC1CN(C)C(=O)NC1=O
Isomeric Smiles
N1C(=O)N(C)CC(C1=O)Br
Calculated Properties
JChem
Acid pKa
10.452648
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.1646078
LogD (pH = 7.4)
-0.16498317
Log P
-0.16460301
Molar Refractivity
38.0149
Polarizability
14.744397
Polar Surface Area
49.41
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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