Molecule

ID:50456

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂
Molecular Mass
156.2685
Exact Mass
156.16264865
Charge
0
InChI
InChI=1S/C9H20N2/c1-10-6-5-9-4-3-7-11(2)8-9/h9-10H,3-8H2,1-2H3
InChIKey
OTGQOYFNOJVJLS-UHFFFAOYSA-N
Canonic Smiles
CNCCC1CCCN(C1)C
Isomeric Smiles
N1(CC(CCC1)CCNC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.9119945
LogD (pH = 7.4)
-4.38316
Log P
0.73909706
Molar Refractivity
49.5635
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
No Data Available
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Molecule Details
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References
Bioactivity
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