Molecule

ID:24264

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅N₃O₂
Molecular Mass
173.2129
Exact Mass
173.11642674
Charge
0
InChI
InChI=1S/C7H15N3O2/c8-9-7(11)1-2-10-3-5-12-6-4-10/h1-6,8H2,(H,9,11)
InChIKey
DHHXMRKFJWOESU-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCN1CCOCC1
Isomeric Smiles
C(=O)(CCN1CCOCC1)NN
Calculated Properties
JChem
Acid pKa
12.989373
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.264733
LogD (pH = 7.4)
-1.693654
Log P
-1.4167533
Molar Refractivity
46.1529
Polarizability
17.78367
Polar Surface Area
67.59
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
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Molecule Details
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References
Bioactivity
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