Molecule

ID:63322

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇NO₄
Molecular Mass
227.25698
Exact Mass
227.11575803
Charge
0
InChI
InChI=1S/C11H17NO4/c1-11(2,3)16-10(14)12-6-8(7-12)5-9(13)15-4/h5H,6-7H2,1-4H3
InChIKey
DHTIDVBYPXKXSK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C=C1CN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C1N(C(=O)OC(C)(C)C)CC1=CC(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1080973
LogD (pH = 7.4)
1.1080973
Log P
1.1080973
Molar Refractivity
58.7313
Polarizability
22.747396
Polar Surface Area
55.84
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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