Molecule

ID:39881

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀Br₂N₂O₂
Molecular Mass
325.9852
Exact Mass
323.91090157
Charge
0
InChI
InChI=1S/C8H10Br2N2O2/c9-5-4-6(12-7(5)10)8(14)11-2-1-3-13/h4,12-13H,1-3H2,(H,11,14)
InChIKey
UAVIBMSTKCBELE-UHFFFAOYSA-N
Canonic Smiles
OCCCNC(=O)c1[nH]c(c(c1)Br)Br
Isomeric Smiles
c1([nH]c(c(c1)Br)Br)C(=O)NCCCO
Calculated Properties
JChem
Acid pKa
10.150982
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
0.65515727
LogD (pH = 7.4)
0.6544904
Log P
0.6551659
Molar Refractivity
60.8547
Polarizability
23.172932
Polar Surface Area
65.12
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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