Molecule

ID:17749

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂
Molecular Mass
182.30578
Exact Mass
182.17829871
Charge
0
InChI
InChI=1S/C11H22N2/c1-4-8-13(9-5-1)10-11-6-2-3-7-12-11/h11-12H,1-10H2
InChIKey
QYKGBJGIKHJGFR-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CN1CCCCC1
Isomeric Smiles
C1(CN2CCCCC2)CCCCN1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.3948333
LogD (pH = 7.4)
-1.225576
Log P
1.5862653
Molar Refractivity
56.6667
Polarizability
22.610828
Polar Surface Area
15.27
Rotatable Bonds
2
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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