Molecule

ID:24503

General Information
Structure
MolImage
Molecular Formula
C₉H₂₂N₂
Molecular Mass
158.28438
Exact Mass
158.17829871
Charge
0
InChI
InChI=1S/C9H22N2/c1-4-9(3)11-8-6-7-10-5-2/h9-11H,4-8H2,1-3H3
InChIKey
PYGQKPWPZIYBKM-UHFFFAOYSA-N
Canonic Smiles
CCNCCCNC(CC)C
Isomeric Smiles
N(CCCNCC)C(CC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-5.014497
LogD (pH = 7.4)
-3.2555597
Log P
1.1553912
Molar Refractivity
50.7232
Polarizability
20.399456
Polar Surface Area
24.06
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
No Data Available
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Molecule Details
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References
Bioactivity
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