Molecule

ID:38762

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇NO₆
Molecular Mass
355.34138
Exact Mass
355.10558727
Charge
0
InChI
InChI=1S/C19H17NO6/c21-17(22)9-20(10-18(23)24)19(25)26-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16H,9-11H2,(H,21,22)(H,23,24)
InChIKey
LNHILYINDTUUMZ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CN(C(=O)OCC1c2ccccc2c2c1cccc2)CC(=O)O
Isomeric Smiles
C(N(CC(=O)O)C(=O)OCC1c2c(c3c1cccc3)cccc2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.27346
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.5911429
LogD (pH = 7.4)
-4.483391
Log P
2.1782122
Molar Refractivity
91.0645
Polarizability
36.374454
Polar Surface Area
104.14
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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