Molecule

ID:131651

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₂N₂O₅
Molecular Mass
370.39908
Exact Mass
370.15287181
Charge
0
InChI
InChI=1S/C20H22N2O5/c1-14(21-20(26)27-13-16-10-6-3-7-11-16)18(23)22-17(19(24)25)12-15-8-4-2-5-9-15/h2-11,14,17H,12-13H2,1H3,(H,21,26)(H,22,23)(H,24,25)/t14-,17-/m0/s1
InChIKey
BVNXQVWGWUHKMK-YOEHRIQHSA-N
Canonic Smiles
O=C(N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccccc1)C)OCc1ccccc1
Isomeric Smiles
C[C@@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)O)NC(=O)OCc1ccccc1
Calculated Properties
JChem
Acid pKa
3.7591915
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.9620893
LogD (pH = 7.4)
-0.57694244
Log P
2.703707
Molar Refractivity
98.0937
Polarizability
38.299458
Polar Surface Area
104.73
Rotatable Bonds
9
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