Molecule

ID:72001

General Information
Structure
Molecular Formula
C₁₀H₁₈N₂
Molecular Mass
166.26332
Exact Mass
166.14699859
Charge
0
InChI
InChI=1S/C10H18N2/c11-9-2-7-1-8(4-9)5-10(12,3-7)6-9/h7-8H,1-6,11-12H2
InChIKey
FOLJMFFBEKONJP-UHFFFAOYSA-N
Canonic Smiles
NC12CC3CC(C1)CC(C2)(C3)N
Isomeric Smiles
C1C2CC3(CC1CC(C2)(C3)N)N
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-6.0120854
LogD (pH = 7.4)
-4.7479024
Log P
-0.028935479
Molar Refractivity
48.8316
Polarizability
20.026846
Polar Surface Area
52.04
Rotatable Bonds
0
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
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Molecule Details
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References
Bioactivity
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