Molecule

ID:55028

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂BrN
Molecular Mass
236.19238
Exact Mass
235.09356171
Charge
0
InChI
InChI=1S/C10H21N.BrH/c1-9(11-2)8-10-6-4-3-5-7-10;/h9-11H,3-8H2,1-2H3;1H
InChIKey
QGGOTFWTWOUYON-UHFFFAOYSA-N
Canonic Smiles
CNC(CC1CCCCC1)C.Br
Isomeric Smiles
N(C(CC1CCCCC1)C)C.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.53163725
LogD (pH = 7.4)
-0.22243364
Log P
2.7045949
Molar Refractivity
49.5352
Polarizability
19.986317
Polar Surface Area
12.03
Rotatable Bonds
3
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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