Molecule

ID:41069

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃O₂
Molecular Mass
207.22912
Exact Mass
207.10077667
Charge
0
InChI
InChI=1S/C10H13N3O2/c1-7(12-13-10(11)14)8-3-5-9(15-2)6-4-8/h3-6H,1-2H3,(H3,11,13,14)/b12-7+
InChIKey
BDWNPKPUKNYIOF-KPKJPENVSA-N
Canonic Smiles
COc1ccc(cc1)/C(=N/NC(=O)N)/C
Isomeric Smiles
N(=C(\c1ccc(cc1)OC)/C)/NC(=O)N
Calculated Properties
JChem
Acid pKa
11.826962
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.46284798
LogD (pH = 7.4)
0.46287382
Log P
0.4628887
Molar Refractivity
56.5237
Polarizability
21.44505
Polar Surface Area
76.71
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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