Molecule

ID:10701

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₆N₂
Molecular Mass
186.33754
Exact Mass
186.20959884
Charge
0
InChI
InChI=1S/C11H26N2/c1-10(2)13(11(3)4)9-7-5-6-8-12/h10-11H,5-9,12H2,1-4H3
InChIKey
CIFBCEXYFFKMEB-UHFFFAOYSA-N
Canonic Smiles
NCCCCCN(C(C)C)C(C)C
Isomeric Smiles
N(CCCCCN)(C(C)C)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.557928
LogD (pH = 7.4)
-3.8357973
Log P
1.9618427
Molar Refractivity
60.3837
Polarizability
24.093277
Polar Surface Area
29.26
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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