Molecule
ID:24286
General Information
Molecular Formula
C₇H₁₇N₃O
Molecular Mass
159.22938
Exact Mass
159.13716218
Charge
0
InChI
InChI=1S/C7H17N3O/c1-3-10(4-2)6-5-7(11)9-8/h3-6,8H2,1-2H3,(H,9,11)
InChIKey
FAXGCFPTKUTKRD-UHFFFAOYSA-N
Canonic Smiles
CCN(CCC(=O)NN)CC
Isomeric Smiles
C(=O)(CCN(CC)CC)NN
Calculated Properties
JChem
Acid pKa
13.473242
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.9094787
LogD (pH = 7.4)
-2.7612846
Log P
-0.48463687
Molar Refractivity
46.5756
Polarizability
17.785816
Polar Surface Area
58.36
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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