Molecule
ID:120539
General Information
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c1-9-8(11)6-4-2-3-5-7(6)10/h2-5,10H,1H3,(H,9,11)
InChIKey
BCKXMQIYWWTZDP-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)c1ccccc1O
Isomeric Smiles
c1(C(=O)NC)c(O)cccc1
Calculated Properties
JChem
Acid pKa
8.196379
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.3931302
LogD (pH = 7.4)
1.3301041
Log P
1.3939968
Molar Refractivity
42.014
Polarizability
15.617159
Polar Surface Area
49.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...