Molecule

ID:52473

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₂
Molecular Mass
166.1772
Exact Mass
166.07422757
Charge
0
InChI
InChI=1S/C8H10N2O2/c1-12-7-5-3-2-4-6(7)8(11)10-9/h2-5H,9H2,1H3,(H,10,11)
InChIKey
QMGXWNSSMGAHCA-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccccc1OC
Isomeric Smiles
C(=O)(c1c(cccc1)OC)NN
Calculated Properties
JChem
Acid pKa
13.591234
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.36896697
LogD (pH = 7.4)
0.36972916
Log P
0.36973915
Molar Refractivity
46.0837
Polarizability
17.118155
Polar Surface Area
64.35
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation