Molecule

ID:64015

General Information
Structure
Molecular Formula
C₆H₁₃BrClN
Molecular Mass
214.53112
Exact Mass
212.9919891
Charge
0
InChI
InChI=1S/C6H12BrN.ClH/c7-5-6-1-3-8-4-2-6;/h6,8H,1-5H2;1H
InChIKey
FJUZTCBWLKVGJY-UHFFFAOYSA-N
Canonic Smiles
BrCC1CCNCC1.Cl
Isomeric Smiles
Cl.N1CCC(CBr)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.1056623
LogD (pH = 7.4)
-1.6478211
Log P
1.125869
Molar Refractivity
39.2702
Polarizability
15.285396
Polar Surface Area
12.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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