Molecule

ID:55057

General Information
Structure
MolImage
Molecular Formula
C₅H₁₄ClN₃O
Molecular Mass
167.63716
Exact Mass
167.08253976
Charge
0
InChI
InChI=1S/C5H13N3O.ClH/c1-3-8(2)4-5(9)7-6;/h3-4,6H2,1-2H3,(H,7,9);1H
InChIKey
SDLFWJYDSLVYIV-UHFFFAOYSA-N
Canonic Smiles
CN(CC)CC(=O)NN.Cl
Isomeric Smiles
CCN(C)CC(=O)NN.Cl
Calculated Properties
JChem
Acid pKa
13.184475
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.2567384
LogD (pH = 7.4)
-1.552355
Log P
-1.0784576
Molar Refractivity
37.1276
Polarizability
14.110443
Polar Surface Area
58.36
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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