Molecule

ID:43620

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₂
Molecular Mass
166.1772
Exact Mass
166.07422757
Charge
0
InChI
InChI=1S/C8H10N2O2/c1-5(11)10-7-4-6(9)2-3-8(7)12/h2-4,12H,9H2,1H3,(H,10,11)
InChIKey
MHEVFARIRDCFEO-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cc(N)ccc1O
Isomeric Smiles
c1(NC(=O)C)cc(N)ccc1O
Calculated Properties
JChem
Acid pKa
9.667353
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.041581467
LogD (pH = 7.4)
0.07413036
Log P
0.07846491
Molar Refractivity
47.6023
Polarizability
16.970888
Polar Surface Area
75.35
Rotatable Bonds
1
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