Molecule

ID:64880

General Information
Structure
MolImage
Molecular Formula
C₆H₈BrClN₂
Molecular Mass
223.49812
Exact Mass
221.95593795
Charge
0
InChI
InChI=1S/C6H7BrN2.ClH/c7-4-2-1-3-5(8)6(4)9;/h1-3H,8-9H2;1H
InChIKey
CHEONOCWRBGCNH-UHFFFAOYSA-N
Canonic Smiles
Nc1c(N)cccc1Br.Cl
Isomeric Smiles
c1cc(c(c(c1)N)N)Br.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.0784057
LogD (pH = 7.4)
1.0840738
Log P
1.0841465
Molar Refractivity
43.0816
Polarizability
15.443374
Polar Surface Area
52.04
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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