Molecule

ID:74332

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂
Molecular Mass
168.2792
Exact Mass
168.16264865
Charge
0
InChI
InChI=1S/C10H20N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h10-11H,1-9H2
InChIKey
XPDSXKIDJNKIQY-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)N1CCNCC1
Isomeric Smiles
N1CCN(C2CCCCC2)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.9884325
LogD (pH = 7.4)
-1.1795415
Log P
1.4535116
Molar Refractivity
51.7577
Polarizability
20.7646
Polar Surface Area
15.27
Rotatable Bonds
1
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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