Molecule

ID:69708

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)
InChIKey
ZGUNAGUHMKGQNY-UHFFFAOYSA-N
Canonic Smiles
NC(c1ccccc1)C(=O)O
Isomeric Smiles
C(=O)(C(c1ccccc1)N)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.49
LogD (pH = 5.5)
-1.47
Log P
-1.47
Rotatable Bonds
2
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
2.23
Polar Surface Area
63.32
Polarizability
15.22
Molar Refractivity
40.36
LOG S
-1.31
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
References
Bioactivity
Navigation