Molecule
ID:83973
General Information
Molecular Formula
C₁₅H₉Br₂Cl₂NO₃
Molecular Mass
481.95086
Exact Mass
478.83262251
Charge
0
InChI
InChI=1S/C15H9Br2Cl2NO3/c16-13(8-5-6-10(18)11(19)7-8)14(17)15(21)9-3-1-2-4-12(9)20(22)23/h1-7,13-14H
InChIKey
WRNZXLQWFIZGCV-UHFFFAOYSA-N
Canonic Smiles
BrC(C(C(=O)c1ccccc1[N+](=O)[O-])Br)c1ccc(c(c1)Cl)Cl
Isomeric Smiles
[N+](=O)(c1ccccc1C(=O)C(C(c1cc(c(cc1)Cl)Cl)Br)Br)[O-]
Calculated Properties
JChem
Acid pKa
13.569096
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.2479877
LogD (pH = 7.4)
6.2479873
Log P
6.2479877
Molar Refractivity
97.4867
Polarizability
36.974846
Polar Surface Area
62.89
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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