Molecule

ID:15089

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5,9H2,(H,10,11)
InChIKey
CSEWAUGPAQPMDC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1ccc(cc1)N
Isomeric Smiles
C(C(=O)O)c1ccc(cc1)N
Calculated Properties
JChem
Acid pKa
3.3917966
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.31137174
LogD (pH = 7.4)
-1.8528342
Log P
-0.115898915
Molar Refractivity
42.066
Polarizability
15.668244
Polar Surface Area
63.32
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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