Molecule
ID:50172
General Information
Molecular Formula
C₁₁H₂₁N
Molecular Mass
167.29114
Exact Mass
167.16739968
Charge
0
InChI
InChI=1S/C11H21N/c1-2-4-10(5-3-1)8-11-6-7-12-9-11/h10-12H,1-9H2
InChIKey
DFAPGTCUGVCLLS-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)CC1CNCC1
Isomeric Smiles
N1CC(CC2CCCCC2)CC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.61710435
LogD (pH = 7.4)
-0.5525208
Log P
2.6240284
Molar Refractivity
52.4574
Polarizability
21.091114
Polar Surface Area
12.03
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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