Molecule

ID:58830

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁Br₂N₃O₃
Molecular Mass
381.02064
Exact Mass
378.91671523
Charge
0
InChI
InChI=1S/C10H11Br2N3O3/c1-10(2,3)13-14(16)9-7(12)4-6(11)5-8(9)15(17)18/h4-5H,1-3H3/b14-13-
InChIKey
CMTPPSIUBDJINO-YPKPFQOOSA-N
Canonic Smiles
Brc1cc(Br)c(c(c1)[N+](=O)[O-])/[N+](=N/C(C)(C)C)/[O-]
Isomeric Smiles
[N+](=N\C(C)(C)C)(/c1c([N+](=O)[O-])cc(cc1Br)Br)\[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.3497436
LogD (pH = 7.4)
3.3497436
Log P
3.3497436
Molar Refractivity
75.7082
Polarizability
27.844131
Polar Surface Area
86.93
Rotatable Bonds
3
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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