Molecule

ID:16966

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃
Molecular Mass
125.17164
Exact Mass
125.09529737
Charge
0
InChI
InChI=1S/C6H11N3/c1-6-8-3-5-9(6)4-2-7/h3,5H,2,4,7H2,1H3
InChIKey
QKVROWZQJVDFSO-UHFFFAOYSA-N
Canonic Smiles
Cc1nccn1CCN
Isomeric Smiles
n1(c(ncc1)C)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.6098537
LogD (pH = 7.4)
-3.0504875
Log P
-0.5954672
Molar Refractivity
36.3
Polarizability
14.032254
Polar Surface Area
43.84
Rotatable Bonds
2
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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