Molecule

ID:74372

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO₂
Molecular Mass
139.15186
Exact Mass
139.06332853
Charge
0
InChI
InChI=1S/C7H9NO2/c1-9-6-4-3-5-7(8-6)10-2/h3-5H,1-2H3
InChIKey
IBTGEEMBZJBBSH-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(n1)OC
Isomeric Smiles
n1c(cccc1OC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6290861
LogD (pH = 7.4)
1.6291451
Log P
1.6291459
Molar Refractivity
37.4545
Polarizability
14.481533
Polar Surface Area
31.35
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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