Molecule

ID:77191

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄N₂
Molecular Mass
184.32166
Exact Mass
184.19394878
Charge
0
InChI
InChI=1S/C11H24N2/c1-11(2,9-12)10-13-7-5-3-4-6-8-13/h3-10,12H2,1-2H3
InChIKey
SUDFIJJDSKVMSO-UHFFFAOYSA-N
Canonic Smiles
NCC(CN1CCCCCC1)(C)C
Isomeric Smiles
N1(CCCCCC1)CC(CN)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.1192994
LogD (pH = 7.4)
-2.092907
Log P
1.7197553
Molar Refractivity
58.3056
Polarizability
23.35114
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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