Molecule

ID:25098

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂N₂
Molecular Mass
170.29508
Exact Mass
170.17829871
Charge
0
InChI
InChI=1S/C10H22N2/c1-2-11-7-10-12-8-5-3-4-6-9-12/h11H,2-10H2,1H3
InChIKey
XGFQAQPRHSNKRA-UHFFFAOYSA-N
Canonic Smiles
CCNCCN1CCCCCC1
Isomeric Smiles
N1(CCNCC)CCCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.5552907
LogD (pH = 7.4)
-1.3837236
Log P
1.4775088
Molar Refractivity
54.2041
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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