Molecule
ID:34388
General Information
Molecular Formula
C₇H₉N₃O
Molecular Mass
151.16586
Exact Mass
151.07456192
Charge
0
InChI
InChI=1S/C7H9N3O/c11-10-7-3-1-2-6-5(7)4-8-9-6/h4,11H,1-3H2,(H,8,9)/b10-7-
InChIKey
DKJCYDCGHWJARD-YFHOEESVSA-N
Canonic Smiles
O/N=C\1/CCCc2c1cn[nH]2
Isomeric Smiles
C1CCc2[nH]ncc2/C/1=N\O
Calculated Properties
JChem
Acid pKa
9.55782
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.35870036
LogD (pH = 7.4)
0.35588273
Log P
0.3588821
Molar Refractivity
41.8673
Polarizability
15.132532
Polar Surface Area
61.27
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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