Molecule

ID:40853

General Information
Structure
MolImage
Molecular Formula
C₅H₉N₅O
Molecular Mass
155.15786
Exact Mass
155.08070993
Charge
0
InChI
InChI=1S/C5H9N5O/c1-10-4(6)3(2-8-10)5(11)9-7/h2H,6-7H2,1H3,(H,9,11)
InChIKey
OFARNLCWFCSYMC-UHFFFAOYSA-N
Canonic Smiles
Cn1ncc(c1N)C(=O)NN
Isomeric Smiles
c1(c(n(nc1)C)N)C(=O)NN
Calculated Properties
JChem
Acid pKa
13.294051
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.1354945
LogD (pH = 7.4)
-1.1343791
Log P
-1.1343645
Molar Refractivity
52.4776
Polarizability
14.398492
Polar Surface Area
98.96
Rotatable Bonds
1
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
No Data Available
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Molecule Details
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References
Bioactivity
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