Molecule
ID:32920
General Information
Molecular Formula
C₄H₁₄N₂O₃
Molecular Mass
138.16556
Exact Mass
138.10044232
Charge
0
InChI
InChI=1S/C4H8N2.3H2O/c1-4(2,6)3-5;;;/h6H2,1-2H3;3*1H2
InChIKey
HSOZQZBUZXOWNS-UHFFFAOYSA-N
Canonic Smiles
N#CC(N)(C)C.O.O.O
Isomeric Smiles
C(#N)C(C)(C)N.O.O.O
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.48835
LogD (pH = 7.4)
-0.20552164
Log P
-0.087996565
Molar Refractivity
24.1899
Polarizability
9.464999
Polar Surface Area
49.81
Rotatable Bonds
0
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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