Molecule

ID:77908

General Information
Structure
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c1-5-3-4-7(8(10)11)6(2)9-5/h3-4H,1-2H3,(H,10,11)
InChIKey
LZKZDAMNFOVXBN-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(C)ccc1C(=O)O
Isomeric Smiles
n1c(c(ccc1C)C(=O)O)C
Calculated Properties
JChem
Acid pKa
2.0756102
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4455138
LogD (pH = 7.4)
-2.2240193
Log P
-1.408002
Molar Refractivity
40.3403
Polarizability
15.306642
Polar Surface Area
50.19
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