Molecule

ID:59778

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₇NO₆
Molecular Mass
367.35208
Exact Mass
367.10558727
Charge
0
InChI
InChI=1S/C20H17NO6/c1-12-9-18(23)27-16-10-14(7-8-15(12)16)26-11-17(22)21-19(20(24)25)13-5-3-2-4-6-13/h2-10,19H,11H2,1H3,(H,21,22)(H,24,25)/t19-/m0/s1
InChIKey
FLFMAUXSEZIPNJ-IBGZPJMESA-N
Canonic Smiles
O=C(N[C@@H](c1ccccc1)C(=O)O)COc1ccc2c(c1)oc(=O)cc2C
Isomeric Smiles
c12oc(=O)cc(c1ccc(c2)OCC(=O)N[C@H](C(=O)O)c1ccccc1)C
Calculated Properties
JChem
Acid pKa
3.2347445
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.010379399
LogD (pH = 7.4)
-1.2049214
Log P
2.2342124
Molar Refractivity
95.5398
Polarizability
36.936996
Polar Surface Area
101.93
Rotatable Bonds
6
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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