Molecule

ID:34002

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N₃O
Molecular Mass
203.24042
Exact Mass
203.10586205
Charge
0
InChI
InChI=1S/C11H13N3O/c12-8-9-7-10(13)1-2-11(9)14-3-5-15-6-4-14/h1-2,7H,3-6,13H2
InChIKey
WJUOUHSBDDDFDL-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(N)ccc1N1CCOCC1
Isomeric Smiles
c1(c(N2CCOCC2)ccc(c1)N)C#N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.86124337
LogD (pH = 7.4)
0.88958573
Log P
0.88995945
Molar Refractivity
59.9831
Polarizability
21.76905
Polar Surface Area
62.28
Rotatable Bonds
1
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