Molecule

ID:59394

General Information
Structure
MolImage
Molecular Formula
C₉H₂₂N₂
Molecular Mass
158.28438
Exact Mass
158.17829871
Charge
0
InChI
InChI=1S/C9H22N2/c1-8(2)10-6-5-7-11-9(3)4/h8-11H,5-7H2,1-4H3
InChIKey
OAVPQXXPJZPXTA-UHFFFAOYSA-N
Canonic Smiles
CC(NCCCNC(C)C)C
Isomeric Smiles
CC(NCCCNC(C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-5.107297
LogD (pH = 7.4)
-3.3257024
Log P
1.0494438
Molar Refractivity
50.618
Polarizability
20.399456
Polar Surface Area
24.06
Rotatable Bonds
6
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
References
Bioactivity
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