Molecule

ID:129248

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃NO₄
Molecular Mass
329.39022
Exact Mass
329.16270822
Charge
0
InChI
InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m0/s1
InChIKey
BHLYRWXGMIUIHG-HNNXBMFYSA-N
Canonic Smiles
COc1ccc(cc1O)C[C@@H]1N(C)CCc2c1cc(O)c(c2)OC
Isomeric Smiles
CN1CCc2cc(c(cc2[C@@H]1Cc1cc(c(cc1)OC)O)O)OC
Calculated Properties
JChem
LogD (pH = 7.4)
2.54
LogD (pH = 5.5)
0.81
Log P
3.10
Rotatable Bonds
4
H Donor
2
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
7.81
Polar Surface Area
62.16
Polarizability
36.53
Molar Refractivity
93.84
LOG S
-1.84
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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