Molecule

ID:11547

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂
Molecular Mass
156.2685
Exact Mass
156.16264865
Charge
0
InChI
InChI=1S/C9H20N2/c1-9-3-7-11(8-4-9)6-2-5-10/h9H,2-8,10H2,1H3
InChIKey
KJZUUHBRCBCMNK-UHFFFAOYSA-N
Canonic Smiles
NCCCN1CCC(CC1)C
Isomeric Smiles
N1(CCC(CC1)C)CCCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.16457
LogD (pH = 7.4)
-3.064359
Log P
0.59053063
Molar Refractivity
49.4939
Polarizability
19.657892
Polar Surface Area
29.26
Rotatable Bonds
3
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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