Molecule

ID:21186

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₁NO₅
Molecular Mass
307.34164
Exact Mass
307.14197278
Charge
0
InChI
InChI=1S/C16H21NO5/c1-16(2,3)22-15(20)17-10-12(9-13(17)14(18)19)21-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,18,19)/t12-,13-/m0/s1
InChIKey
IQFZJNCETIGXIO-STQMWFEESA-N
Canonic Smiles
O=C(N1C[C@H](C[C@H]1C(=O)O)Oc1ccccc1)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)[C@H](C(=O)O)C[C@@H](C1)Oc1ccccc1
Calculated Properties
JChem
Acid pKa
3.8084536
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.67847455
LogD (pH = 7.4)
-0.8859743
Log P
2.3725057
Molar Refractivity
78.6372
Polarizability
31.15901
Polar Surface Area
76.07
Rotatable Bonds
5
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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