Molecule

ID:111765

General Information
Structure
MolImage
Molecular Formula
C₆H₁₆BrN
Molecular Mass
182.10194
Exact Mass
181.04661152
Charge
0
InChI
InChI=1S/C6H15N.BrH/c1-5(2)7-6(3)4;/h5-7H,1-4H3;1H
InChIKey
KIJXMUOJNZXYHU-UHFFFAOYSA-N
Canonic Smiles
CC(NC(C)C)C.Br
Isomeric Smiles
Br.CC(C)NC(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.8835524
LogD (pH = 7.4)
-1.6228405
Log P
1.3538874
Molar Refractivity
33.0282
Polarizability
13.342089
Polar Surface Area
12.03
Rotatable Bonds
2
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
References
Bioactivity
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