Molecule

ID:43677

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇Br₂N₃O
Molecular Mass
344.99008
Exact Mass
342.89558586
Charge
0
InChI
InChI=1S/C10H7Br2N3O/c11-5-1-4-2-6(10(14)16)9(13)15-8(4)7(12)3-5/h1-3H,(H2,13,15)(H2,14,16)
InChIKey
MMDYMXKTESCOCM-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Br)c2c(c1)cc(c(n2)N)C(=O)N
Isomeric Smiles
c1(c(nc2c(c1)cc(cc2Br)Br)N)C(=O)N
Calculated Properties
JChem
Acid pKa
13.967974
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.9339457
LogD (pH = 7.4)
2.9345698
Log P
2.9345777
Molar Refractivity
69.3172
Polarizability
26.687508
Polar Surface Area
82.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation