Molecule

ID:92197

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇NO₃
Molecular Mass
223.26828
Exact Mass
223.12084341
Charge
0
InChI
InChI=1S/C12H17NO3/c1-13(2)8-9-16-11-7-5-4-6-10(11)12(14)15-3/h4-7H,8-9H2,1-3H3
InChIKey
YYHIRPUVYUUCTJ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccccc1OCCN(C)C
Isomeric Smiles
O(C(=O)c1ccccc1OCCN(C)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.156677
LogD (pH = 7.4)
0.5608909
Log P
1.8376961
Molar Refractivity
62.5656
Polarizability
24.318287
Polar Surface Area
38.77
Rotatable Bonds
6
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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