Molecule

ID:59660

General Information
Structure
Molecular Formula
C₁₁H₂₃N₃O₃
Molecular Mass
245.31862
Exact Mass
245.17394161
Charge
0
InChI
InChI=1S/C11H23N3O3/c1-6-7(2)8(9(15)14-12)13-10(16)17-11(3,4)5/h7-8H,6,12H2,1-5H3,(H,13,16)(H,14,15)/t7-,8-/m0/s1
InChIKey
LIRUNLCZYYYSDX-YUMQZZPRSA-N
Canonic Smiles
CC[C@@H]([C@@H](C(=O)NN)NC(=O)OC(C)(C)C)C
Isomeric Smiles
C(=O)(N[C@H](C(=O)NN)[C@H](CC)C)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.781781
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
1.1410983
LogD (pH = 7.4)
1.1420183
Log P
1.1420317
Molar Refractivity
65.2732
Polarizability
25.567127
Polar Surface Area
93.45
Rotatable Bonds
6
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