Molecule

ID:47559

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO₇
Molecular Mass
365.37772
Exact Mass
365.14745208
Charge
0
InChI
InChI=1S/C18H23NO7/c1-18(2,3)26-17(23)19-10-13(9-14(19)15(20)21)25-12-7-5-11(6-8-12)16(22)24-4/h5-8,13-14H,9-10H2,1-4H3,(H,20,21)/t13-,14-/m0/s1
InChIKey
UCMPQDOFNHHSGW-KBPBESRZSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)O[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
Isomeric Smiles
[C@@H]1(C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O)Oc1ccc(cc1)C(=O)OC
Calculated Properties
JChem
Acid pKa
3.503559
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.38772985
LogD (pH = 7.4)
-0.9983369
Log P
2.3759825
Molar Refractivity
90.6625
Polarizability
35.64997
Polar Surface Area
102.37
Rotatable Bonds
7
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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