Molecule

ID:78464

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c1-2-11-8(10)7-3-5-9-6-4-7/h3-6H,2H2,1H3
InChIKey
MCRPKBUFXAKDKI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccncc1
Isomeric Smiles
n1ccc(cc1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1125438
LogD (pH = 7.4)
1.1158164
Log P
1.1158583
Molar Refractivity
40.675
Polarizability
15.700501
Polar Surface Area
39.19
Rotatable Bonds
3
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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