Molecule

ID:30812

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂N₂
Molecular Mass
170.29508
Exact Mass
170.17829871
Charge
0
InChI
InChI=1S/C10H22N2/c1-10(11)6-9-12-7-4-2-3-5-8-12/h10H,2-9,11H2,1H3
InChIKey
YHGWYQDNQLHADE-UHFFFAOYSA-N
Canonic Smiles
CC(CCN1CCCCCC1)N
Isomeric Smiles
N1(CCC(N)C)CCCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.883717
LogD (pH = 7.4)
-2.9790425
Log P
1.1646552
Molar Refractivity
53.9651
Polarizability
21.50448
Polar Surface Area
29.26
Rotatable Bonds
3
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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