Molecule

ID:18103

General Information
Structure
MolImage
Molecular Formula
C₇H₃Br₂N
Molecular Mass
260.91342
Exact Mass
258.8632231
Charge
0
InChI
InChI=1S/C7H3Br2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChIKey
QUJGDNCWTBTBQD-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(Br)cc(c1)Br
Isomeric Smiles
C(#N)c1cc(cc(c1)Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3668473
LogD (pH = 7.4)
3.3668473
Log P
3.3668473
Molar Refractivity
47.0252
Polarizability
18.044605
Polar Surface Area
23.79
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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