Molecule
ID:65763
General Information
Molecular Formula
C₆H₁₁N₃O
Molecular Mass
141.17104
Exact Mass
141.09021199
Charge
0
InChI
InChI=1S/C6H11N3O/c1-4(2)10-6-3-5(7)8-9-6/h3-4H,1-2H3,(H3,7,8,9)
InChIKey
BAYGRDORJOSALU-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1[nH]nc(c1)N)C
Isomeric Smiles
[nH]1nc(cc1OC(C)C)N
Calculated Properties
JChem
Acid pKa
13.293593
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.7367777
LogD (pH = 7.4)
0.7478209
Log P
0.7479641
Molar Refractivity
39.6432
Polarizability
14.489804
Polar Surface Area
63.93
Rotatable Bonds
2
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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