Molecule

ID:37952

General Information
Structure
MolImage
Molecular Formula
C₇H₉NO₃
Molecular Mass
155.15126
Exact Mass
155.05824315
Charge
0
InChI
InChI=1S/C7H9NO3/c1-3-10-7(9)6-4-5(2)11-8-6/h4H,3H2,1-2H3
InChIKey
OCCIGHIQVMLYBZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1noc(c1)C
Isomeric Smiles
c1(noc(c1)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2834878
LogD (pH = 7.4)
1.2834878
Log P
1.0834877
Molar Refractivity
39.0516
Polarizability
14.446891
Polar Surface Area
52.33
Rotatable Bonds
3
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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