Molecule

ID:89549

General Information
Structure
MolImage
Molecular Formula
C₇H₇NO₂
Molecular Mass
137.13598
Exact Mass
137.04767847
Charge
0
InChI
InChI=1S/C7H7NO2/c1-10-7-4-2-3-6(5-9)8-7/h2-5H,1H3
InChIKey
YDNWTNODZDSPNZ-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(n1)C=O
Isomeric Smiles
n1c(cccc1C=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5793704
LogD (pH = 7.4)
1.5794047
Log P
1.5794051
Molar Refractivity
36.8766
Polarizability
13.866953
Polar Surface Area
39.19
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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