Molecule
ID:119422
General Information
Molecular Formula
C₁₇H₂₃N₃O₄
Molecular Mass
333.38222
Exact Mass
333.16885623
Charge
0
InChI
InChI=1S/C17H23N3O4/c1-10(2)15(16(22)23)18-17(24)19-7-11-6-12(9-19)13-4-3-5-14(21)20(13)8-11/h3-5,10-12,15H,6-9H2,1-2H3,(H,18,24)(H,22,23)/t11?,12?,15-/m0/s1
InChIKey
KNTVOOKRMLJSKO-QOZQQMKHSA-N
Canonic Smiles
O=C(N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)N[C@H](C(=O)O)C(C)C
Isomeric Smiles
n12c([C@@H]3CN(C(=O)N[C@H](C(=O)O)C(C)C)C[C@H](C2)C3)cccc1=O
Calculated Properties
JChem
Acid pKa
4.023159
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.3328164
LogD (pH = 7.4)
-2.991185
Log P
0.15446196
Molar Refractivity
89.6417
Polarizability
33.51001
Polar Surface Area
89.95
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...