Molecule

ID:21233

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃NO₆
Molecular Mass
337.36762
Exact Mass
337.15253746
Charge
0
InChI
InChI=1S/C17H23NO6/c1-17(2,3)24-16(21)18-10-13(9-14(18)15(19)20)23-12-7-5-11(22-4)6-8-12/h5-8,13-14H,9-10H2,1-4H3,(H,19,20)/t13-,14-/m0/s1
InChIKey
MTUCDCMXIZTMIN-KBPBESRZSA-N
Canonic Smiles
COc1ccc(cc1)O[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
Isomeric Smiles
N1(C(=O)OC(C)(C)C)[C@H](C(=O)O)C[C@@H](C1)Oc1ccc(cc1)OC
Calculated Properties
JChem
Acid pKa
3.5230587
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.24533904
LogD (pH = 7.4)
-1.1535357
Log P
2.2148345
Molar Refractivity
85.1004
Polarizability
33.704304
Polar Surface Area
85.3
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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