Molecule

ID:27293

General Information
Structure
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-6-7-4-2-3-5-8(7)14-9(6)10(13)12-11/h2-5H,11H2,1H3,(H,12,13)
InChIKey
SNUIRFLZLMGGLO-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1oc2c(c1C)cccc2
Isomeric Smiles
c1(oc2c(c1C)cccc2)C(=O)NN
Calculated Properties
JChem
Acid pKa
14.520928
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.1194335
LogD (pH = 7.4)
1.1199497
Log P
1.1199564
Molar Refractivity
53.3803
Polarizability
20.733274
Polar Surface Area
68.26
Rotatable Bonds
1
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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