Molecule

ID:15234

General Information
Structure
MolImage
Molecular Formula
C₈H₉N₃O
Molecular Mass
163.17656
Exact Mass
163.07456192
Charge
0
InChI
InChI=1S/C8H9N3O/c9-8-3-4-10-11(8)6-7-2-1-5-12-7/h1-5H,6,9H2
InChIKey
CZTODPMGIIIPHN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccnn1Cc1ccco1
Isomeric Smiles
n1(Cc2ccco2)c(ccn1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.44293934
LogD (pH = 7.4)
0.44614962
Log P
0.44619069
Molar Refractivity
55.9186
Polarizability
16.510649
Polar Surface Area
56.98
Rotatable Bonds
2
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