Molecule
ID:56266
General Information
Molecular Formula
C₇H₇N₃O₂
Molecular Mass
165.14938
Exact Mass
165.05382648
Charge
0
InChI
InChI=1S/C7H7N3O2/c8-6(11)4-1-2-5(7(9)12)10-3-4/h1-3H,(H2,8,11)(H2,9,12)
InChIKey
LEIAZUKOBVWTEH-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ccc(cn1)C(=O)N
Isomeric Smiles
c1(cnc(cc1)C(=O)N)C(=O)N
Calculated Properties
JChem
Acid pKa
12.96608
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.1572963
LogD (pH = 7.4)
-1.1572946
Log P
-1.1572957
Molar Refractivity
41.6859
Polarizability
15.199783
Polar Surface Area
99.07
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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