Molecule

ID:68414

General Information
Structure
MolImage
Molecular Formula
C₈H₉NO₂
Molecular Mass
151.16256
Exact Mass
151.06332853
Charge
0
InChI
InChI=1S/C8H9NO2/c1-6-4-3-5-7(9-6)8(10)11-2/h3-5H,1-2H3
InChIKey
CYWIZMOZBTXFIL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(n1)C
Isomeric Smiles
c1(cccc(n1)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0750962
LogD (pH = 7.4)
1.076256
Log P
1.0762708
Molar Refractivity
40.1459
Polarizability
15.63194
Polar Surface Area
39.19
Rotatable Bonds
2
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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