Molecule

ID:12621

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁N₃O
Molecular Mass
201.22454
Exact Mass
201.09021199
Charge
0
InChI
InChI=1S/C11H11N3O/c15-10-8-4-1-2-5-9(8)13-11-12-6-3-7-14(10)11/h1-2,4-5H,3,6-7H2,(H,12,13)
InChIKey
YBDKSPSOTVXJEP-UHFFFAOYSA-N
Canonic Smiles
O=c1c2ccccc2nc2n1CCCN2
Isomeric Smiles
c1ccc2c(c1)c(=O)n1c(n2)NCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.37665218
LogD (pH = 7.4)
0.8740959
Log P
0.8867819
Molar Refractivity
58.7564
Polarizability
20.918629
Polar Surface Area
44.7
Rotatable Bonds
0
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