Molecule

ID:73528

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO
Molecular Mass
123.15246
Exact Mass
123.06841391
Charge
0
InChI
InChI=1S/C7H9NO/c1-6(9)7-3-2-4-8-5-7/h2-6,9H,1H3
InChIKey
QMDUEBURHKSKDG-UHFFFAOYSA-N
Canonic Smiles
CC(c1cccnc1)O
Isomeric Smiles
n1cc(ccc1)C(O)C
Calculated Properties
JChem
Acid pKa
14.535881
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.3471953
LogD (pH = 7.4)
0.40401113
Log P
0.40479866
Molar Refractivity
35.1358
Polarizability
13.722902
Polar Surface Area
33.12
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