Molecule

ID:129817

General Information
Structure
MolImage
Molecular Formula
C₂H₈N₁₀O
Molecular Mass
188.15132
Exact Mass
188.08825493
Charge
0
InChI
InChI=1S/C2H6N10.H2O/c3-1(4)12(5)11-8-2-6-9-10-7-2;/h5H2,(H3,3,4)(H,6,7,9,10);1H2
InChIKey
ZLAGPWONHHROPL-UHFFFAOYSA-N
Canonic Smiles
NC(=N)N(/N=N/c1n[nH]nn1)N.O
Isomeric Smiles
C(=N)(N)N(N)/N=N/c1n[nH]nn1.O
Calculated Properties
JChem
Acid pKa
6.08899
H Acceptors
9
H Donor
4
LogD (pH = 5.5)
-1.7932936
LogD (pH = 7.4)
-1.2098092
Log P
-1.2162614
Molar Refractivity
56.7215
Polarizability
13.657814
Polar Surface Area
158.31
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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