Molecule

ID:89478

General Information
Structure
MolImage
Molecular Formula
C₈H₇NO₂
Molecular Mass
149.14668
Exact Mass
149.04767847
Charge
0
InChI
InChI=1S/C8H7NO2/c1-9-6-4-2-3-5-7(6)11-8(9)10/h2-5H,1H3
InChIKey
QRMRRLXXFHXMBC-UHFFFAOYSA-N
Canonic Smiles
Cn1c(=O)oc2c1cccc2
Isomeric Smiles
o1c2c(cccc2)n(c1=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1956927
LogD (pH = 7.4)
1.1956927
Log P
1.1956927
Molar Refractivity
39.3801
Polarizability
15.158447
Polar Surface Area
29.54
Rotatable Bonds
0
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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