Molecule

ID:35744

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂N₂
Molecular Mass
170.29508
Exact Mass
170.17829871
Charge
0
InChI
InChI=1S/C10H22N2/c1-3-4-7-11-10-5-8-12(2)9-6-10/h10-11H,3-9H2,1-2H3
InChIKey
XUTYYTFCEDKHFQ-UHFFFAOYSA-N
Canonic Smiles
CCCCNC1CCN(CC1)C
Isomeric Smiles
N1(CCC(CC1)NCCCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.0241575
LogD (pH = 7.4)
-2.1935885
Log P
1.1578267
Molar Refractivity
54.0181
Polarizability
21.50448
Polar Surface Area
15.27
Rotatable Bonds
4
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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