Molecule

ID:58109

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂
Molecular Mass
156.2685
Exact Mass
156.16264865
Charge
0
InChI
InChI=1S/C9H20N2/c1-8(2)11-5-4-9(7-11)6-10-3/h8-10H,4-7H2,1-3H3
InChIKey
IGVKUZDVGAUFDP-UHFFFAOYSA-N
Canonic Smiles
CNCC1CCN(C1)C(C)C
Isomeric Smiles
C1C(CCN1C(C)C)CNC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.613158
LogD (pH = 7.4)
-3.67431
Log P
0.66489947
Molar Refractivity
49.4301
Polarizability
19.657892
Polar Surface Area
15.27
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
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Molecule Details
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References
Bioactivity
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