Molecule

ID:63765

General Information
Structure
MolImage
Molecular Formula
C₄H₅BrN₂O₂
Molecular Mass
192.9987
Exact Mass
191.95343941
Charge
0
InChI
InChI=1S/C4H5BrN2O2/c5-3-1-2(4(6)8)9-7-3/h2H,1H2,(H2,6,8)
InChIKey
NVMBOQJWLFNIMK-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1CC(=NO1)Br
Isomeric Smiles
C1(=NOC(C1)C(=O)N)Br
Calculated Properties
JChem
Acid pKa
13.646984
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.33118662
LogD (pH = 7.4)
-0.33118385
Log P
-0.33118403
Molar Refractivity
33.1975
Polarizability
13.177112
Polar Surface Area
64.68
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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