Molecule

ID:87714

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₂O₃
Molecular Mass
194.1873
Exact Mass
194.06914219
Charge
0
InChI
InChI=1S/C9H10N2O3/c10-11-9(12)8-5-13-6-3-1-2-4-7(6)14-8/h1-4,8H,5,10H2,(H,11,12)
InChIKey
MKOUZUYLZSZHFZ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1COc2c(O1)cccc2
Isomeric Smiles
O1C(COc2c1cccc2)C(=O)NN
Calculated Properties
JChem
Acid pKa
11.158283
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.07151553
LogD (pH = 7.4)
0.07280845
Log P
0.07289963
Molar Refractivity
49.1516
Polarizability
19.156212
Polar Surface Area
73.58
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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