Molecule

ID:21200

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃NO₅
Molecular Mass
321.36822
Exact Mass
321.15762284
Charge
0
InChI
InChI=1S/C17H23NO5/c1-11-7-5-6-8-14(11)22-12-9-13(15(19)20)18(10-12)16(21)23-17(2,3)4/h5-8,12-13H,9-10H2,1-4H3,(H,19,20)/t12-,13-/m0/s1
InChIKey
NNYBPYGAJNJRLN-STQMWFEESA-N
Canonic Smiles
O=C(N1C[C@H](C[C@H]1C(=O)O)Oc1ccccc1C)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)[C@H](C(=O)O)C[C@@H](C1)Oc1c(C)cccc1
Calculated Properties
JChem
Acid pKa
3.8940735
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.274519
LogD (pH = 7.4)
-0.33071595
Log P
2.885927
Molar Refractivity
83.6784
Polarizability
32.91735
Polar Surface Area
76.07
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation