Molecule

ID:31171

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉N₃
Molecular Mass
157.25656
Exact Mass
157.15789762
Charge
0
InChI
InChI=1S/C8H19N3/c1-10(2)7-8-11-5-3-9-4-6-11/h9H,3-8H2,1-2H3
InChIKey
LGDNSGSJKBIVFG-UHFFFAOYSA-N
Canonic Smiles
CN(CCN1CCNCC1)C
Isomeric Smiles
N1(CCN(C)C)CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.6455584
LogD (pH = 7.4)
-3.8440142
Log P
-0.32711437
Molar Refractivity
48.7626
Polarizability
19.332188
Polar Surface Area
18.51
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
References
Bioactivity
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