Molecule

ID:68100

General Information
Structure
MolImage
Molecular Formula
C₆H₇NO
Molecular Mass
109.12588
Exact Mass
109.05276385
Charge
0
InChI
InChI=1S/C6H7NO/c1-5-2-3-7-4-6(5)8/h2-4,8H,1H3
InChIKey
WYOZXMYWGIJYSQ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccncc1O
Isomeric Smiles
c1c(c(ccn1)C)O
Calculated Properties
JChem
Acid pKa
9.542417
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.37679905
LogD (pH = 7.4)
0.93841165
Log P
0.9654295
Molar Refractivity
30.9232
Polarizability
11.796666
Polar Surface Area
33.12
Rotatable Bonds
0
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