Molecule

ID:74164

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉NO₃
Molecular Mass
309.35906
Exact Mass
309.13649347
Charge
0
InChI
InChI=1S/C19H19NO3/c1-3-16-18(19(22)23-2)15-11-14(21)9-10-17(15)20(16)12-13-7-5-4-6-8-13/h4-11,21H,3,12H2,1-2H3
InChIKey
XPFDPBGCKRPUGQ-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(CC)n(c2c1cc(O)cc2)Cc1ccccc1
Isomeric Smiles
n1(c2c(cc(cc2)O)c(c1CC)C(=O)OC)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
9.491145
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.442108
LogD (pH = 7.4)
4.438668
Log P
4.4421525
Molar Refractivity
90.3337
Polarizability
35.539375
Polar Surface Area
51.46
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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