Molecule

ID:35263

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅NO₃
Molecular Mass
197.231
Exact Mass
197.10519335
Charge
0
InChI
InChI=1S/C10H15NO3/c1-7-6-9(10(12)13)8(2)11(7)4-5-14-3/h6H,4-5H2,1-3H3,(H,12,13)
InChIKey
FWVAXENAXYFLMB-UHFFFAOYSA-N
Canonic Smiles
COCCn1c(C)cc(c1C)C(=O)O
Isomeric Smiles
c1(c(n(c(c1)C)CCOC)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.3910131
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.8096292
LogD (pH = 7.4)
-2.1186337
Log P
1.2865361
Molar Refractivity
54.3126
Polarizability
20.066956
Polar Surface Area
51.46
Rotatable Bonds
4
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
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References
Bioactivity
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