Molecule

ID:21255

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₂N₂O₅
Molecular Mass
358.38838
Exact Mass
358.15287181
Charge
0
InChI
InChI=1S/C19H22N2O5/c1-19(2,3)26-18(24)21-11-13(10-14(21)17(22)23)25-15-8-4-6-12-7-5-9-20-16(12)15/h4-9,13-14H,10-11H2,1-3H3,(H,22,23)/t13-,14-/m0/s1
InChIKey
OZSKDIYBVVSZNP-KBPBESRZSA-N
Canonic Smiles
O=C(N1C[C@H](C[C@H]1C(=O)O)Oc1cccc2c1nccc2)OC(C)(C)C
Isomeric Smiles
N1(C(=O)OC(C)(C)C)[C@H](C(=O)O)C[C@@H](C1)Oc1c2ncccc2ccc1
Calculated Properties
JChem
Acid pKa
3.8380444
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.7666721
LogD (pH = 7.4)
-0.7594166
Log P
2.21076
Molar Refractivity
92.5585
Polarizability
37.733368
Polar Surface Area
88.96
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