Molecule
ID:24344
General Information
Molecular Formula
C₁₁H₁₇N₃O
Molecular Mass
207.27218
Exact Mass
207.13716218
Charge
0
InChI
InChI=1S/C11H17N3O/c1-9(10-5-3-2-4-6-10)13-8-7-11(15)14-12/h2-6,9,13H,7-8,12H2,1H3,(H,14,15)
InChIKey
OVXPHUDZHVWWGN-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)CCNC(c1ccccc1)C
Isomeric Smiles
C(=O)(CCNC(c1ccccc1)C)NN
Calculated Properties
JChem
Acid pKa
13.201702
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-2.5441506
LogD (pH = 7.4)
-1.1929342
Log P
0.5597474
Molar Refractivity
60.8151
Polarizability
23.695639
Polar Surface Area
67.15
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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...