Molecule

ID:80932

General Information
Structure
Molecular Formula
C₈H₁₅N₃O₂
Molecular Mass
185.2236
Exact Mass
185.11642674
Charge
0
InChI
InChI=1S/C8H15N3O2/c9-11-8(13)7(12)10-6-4-2-1-3-5-6/h6H,1-5,9H2,(H,10,12)(H,11,13)
InChIKey
UYXGUXLKSXMTAF-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(=O)NC1CCCCC1
Isomeric Smiles
N(C1CCCCC1)C(=O)C(=O)NN
Calculated Properties
JChem
Acid pKa
10.700047
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.15140998
LogD (pH = 7.4)
-0.15136173
Log P
-0.15116589
Molar Refractivity
48.478
Polarizability
18.63131
Polar Surface Area
84.22
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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