Molecule

ID:45044

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀Br₂N₂O
Molecular Mass
309.9858
Exact Mass
307.91598695
Charge
0
InChI
InChI=1S/C8H10Br2N2O/c1-8(2,3)12-7(13)6(10)5(9)4-11-12/h4H,1-3H3
InChIKey
KJEYWGXQUPGWLZ-UHFFFAOYSA-N
Canonic Smiles
CC(n1ncc(c(c1=O)Br)Br)(C)C
Isomeric Smiles
c1(=O)n(ncc(c1Br)Br)C(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.3756502
LogD (pH = 7.4)
2.3756502
Log P
2.3756502
Molar Refractivity
59.8818
Polarizability
22.284918
Polar Surface Area
32.67
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
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Molecule Details
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References
Bioactivity
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