Molecule

ID:33286

General Information
Structure
Molecular Formula
C₁₁H₁₇N₃O₂
Molecular Mass
223.27158
Exact Mass
223.1320768
Charge
0
InChI
InChI=1S/C11H17N3O2/c1-3-10(11(15)14-12)13-8-4-6-9(16-2)7-5-8/h4-7,10,13H,3,12H2,1-2H3,(H,14,15)
InChIKey
QOASZMKPZLKPKM-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)NN)Nc1ccc(cc1)OC
Isomeric Smiles
C(=O)(C(Nc1ccc(cc1)OC)CC)NN
Calculated Properties
JChem
Acid pKa
12.656833
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.75184023
LogD (pH = 7.4)
0.7541723
Log P
0.75420433
Molar Refractivity
64.1238
Polarizability
23.991009
Polar Surface Area
76.38
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