Molecule

ID:123605

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₂
Molecular Mass
166.1772
Exact Mass
166.07422757
Charge
0
InChI
InChI=1S/C8H10N2O2/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H2,10,11)
InChIKey
INCJNDAQNPWMPZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1N)C(=O)N
Isomeric Smiles
C(=O)(c1cc(c(cc1)OC)N)N
Calculated Properties
JChem
Acid pKa
14.765874
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.16483337
LogD (pH = 7.4)
-0.16273788
Log P
-0.16271111
Molar Refractivity
46.3
Polarizability
16.84142
Polar Surface Area
78.34
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