Molecule

ID:36280

General Information
Structure
Molecular Formula
C₁₉H₂₀N₂O₆
Molecular Mass
372.3719
Exact Mass
372.13213637
Charge
0
InChI
InChI=1S/C19H20N2O6/c1-25-15-5-3-14(4-6-15)21(11-19(23)24)10-18(22)20-9-13-2-7-16-17(8-13)27-12-26-16/h2-8H,9-12H2,1H3,(H,20,22)(H,23,24)
InChIKey
IHEMXTBGIXVCET-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)N(CC(=O)O)CC(=O)NCc1ccc2c(c1)OCO2
Isomeric Smiles
N(CC(=O)NCc1cc2c(OCO2)cc1)(CC(=O)O)c1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
3.8273728
H Acceptors
7
H Donor
2
LogD (pH = 5.5)
-0.031737436
LogD (pH = 7.4)
-1.6055726
Log P
1.6440251
Molar Refractivity
96.2174
Polarizability
37.041115
Polar Surface Area
97.33
Rotatable Bonds
8
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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