Molecule

ID:47527

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO₆
Molecular Mass
349.37832
Exact Mass
349.15253746
Charge
0
InChI
InChI=1S/C18H23NO6/c1-11(20)12-5-7-13(8-6-12)24-14-9-15(16(21)22)19(10-14)17(23)25-18(2,3)4/h5-8,14-15H,9-10H2,1-4H3,(H,21,22)/t14-,15-/m0/s1
InChIKey
IXGMRGJHTJKEFB-GJZGRUSLSA-N
Canonic Smiles
O=C(N1C[C@H](C[C@H]1C(=O)O)Oc1ccc(cc1)C(=O)C)OC(C)(C)C
Isomeric Smiles
[C@@H]1(C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O)Oc1ccc(cc1)C(=O)C
Calculated Properties
JChem
Acid pKa
3.5661743
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.0021804816
LogD (pH = 7.4)
-1.4243934
Log P
1.9301531
Molar Refractivity
89.04
Polarizability
34.91958
Polar Surface Area
93.14
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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