Molecule

ID:33044

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂N₂
Molecular Mass
182.30578
Exact Mass
182.17829871
Charge
0
InChI
InChI=1S/C11H22N2/c12-10-11(6-2-3-7-11)13-8-4-1-5-9-13/h1-10,12H2
InChIKey
KEDRZSDDGPZNTE-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCCC1)N1CCCCC1
Isomeric Smiles
N1(C2(CN)CCCC2)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4916003
LogD (pH = 7.4)
-1.4848055
Log P
1.5220224
Molar Refractivity
56.3827
Polarizability
22.610828
Polar Surface Area
29.26
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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