Molecule

ID:45265

General Information
Structure
Molecular Formula
C₁₀H₂₀N₂
Molecular Mass
168.2792
Exact Mass
168.16264865
Charge
0
InChI
InChI=1S/C10H20N2/c11-7-9-3-5-12(6-4-9)8-10-1-2-10/h9-10H,1-8,11H2
InChIKey
ZJRMNUCJUXHKJQ-UHFFFAOYSA-N
Canonic Smiles
NCC1CCN(CC1)CC1CC1
Isomeric Smiles
N1(CC2CC2)CCC(CC1)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.7999835
LogD (pH = 7.4)
-4.2736974
Log P
0.64252526
Molar Refractivity
52.1299
Polarizability
20.7646
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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