Molecule

ID:19163

General Information
Structure
MolImage
Molecular Formula
C₆H₈BrClN₂
Molecular Mass
223.49812
Exact Mass
221.95593795
Charge
0
InChI
InChI=1S/C6H7BrN2.ClH/c7-5-1-3-6(9-8)4-2-5;/h1-4,9H,8H2;1H
InChIKey
RGGOWBBBHWTTRE-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc(cc1)Br.Cl
Isomeric Smiles
Cl.c1c(ccc(c1)NN)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.9244157
LogD (pH = 7.4)
2.1302688
Log P
2.133641
Molar Refractivity
43.3875
Polarizability
15.693236
Polar Surface Area
38.05
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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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