Molecule
ID:51087
General Information
Molecular Formula
C₇H₉N₃O₂
Molecular Mass
167.16526
Exact Mass
167.06947654
Charge
0
InChI
InChI=1S/C7H9N3O2/c8-9-7(11)5-3-6(12-10-5)4-1-2-4/h3-4H,1-2,8H2,(H,9,11)
InChIKey
RCQDEQWJICVPOA-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1noc(c1)C1CC1
Isomeric Smiles
c1(noc(c1)C1CC1)C(=O)NN
Calculated Properties
JChem
Acid pKa
11.903503
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.099309646
LogD (pH = 7.4)
-0.09888091
Log P
-0.098863214
Molar Refractivity
43.0336
Polarizability
15.408704
Polar Surface Area
81.15
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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