Molecule

ID:42219

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO₂
Molecular Mass
139.15186
Exact Mass
139.06332853
Charge
0
InChI
InChI=1S/C7H9NO2/c1-8-5-3-4-6(8)7(9)10-2/h3-5H,1-2H3
InChIKey
APHVGKYWHWFAQV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccn1C
Isomeric Smiles
c1(n(ccc1)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2002841
LogD (pH = 7.4)
1.2002841
Log P
1.2002841
Molar Refractivity
37.6163
Polarizability
14.238745
Polar Surface Area
31.23
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
No Data Available
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Molecule Details
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References
Bioactivity
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