Molecule

ID:61202

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇NO₄
Molecular Mass
299.32118
Exact Mass
299.11575803
Charge
0
InChI
InChI=1S/C17H17NO4/c1-10-13(16(19)21-3)15(12-8-6-5-7-9-12)14(11(2)18-10)17(20)22-4/h5-9H,1-4H3
InChIKey
ZRODZECCHZZHBO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(C)nc(c(c1c1ccccc1)C(=O)OC)C
Isomeric Smiles
c1(c(nc(c(c1c1ccccc1)C(=O)OC)C)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6346145
LogD (pH = 7.4)
2.6719944
Log P
2.672493
Molar Refractivity
82.2709
Polarizability
32.757492
Polar Surface Area
65.49
Rotatable Bonds
5
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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