Molecule

ID:19192

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c10-8(11)2-1-7-3-5-9-6-4-7/h3-6H,1-2H2,(H,10,11)
InChIKey
WSXGQYDHJZKQQB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCc1ccncc1
Isomeric Smiles
C(=O)(CCc1ccncc1)O
Calculated Properties
JChem
Acid pKa
3.940647
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.58196443
LogD (pH = 7.4)
-2.1877694
Log P
-0.2865124
Molar Refractivity
39.8097
Polarizability
15.476806
Polar Surface Area
50.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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