Molecule

ID:82445

General Information
Structure
MolImage
Molecular Formula
C₇H₇Br₃N₂O₂
Molecular Mass
390.85468
Exact Mass
387.80576347
Charge
0
InChI
InChI=1S/C7H7Br3N2O2/c1-2-14-4(13)3-12-6(9)5(8)11-7(12)10/h2-3H2,1H3
InChIKey
WGSUKEDYCMTXPK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cn1c(Br)nc(c1Br)Br
Isomeric Smiles
n1(c(nc(c1Br)Br)Br)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5665588
LogD (pH = 7.4)
2.5665867
Log P
2.566587
Molar Refractivity
63.0064
Polarizability
24.836054
Polar Surface Area
44.12
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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