Molecule

ID:43527

General Information
Structure
MolImage
Molecular Formula
C₉H₉N₃O
Molecular Mass
175.18726
Exact Mass
175.07456192
Charge
0
InChI
InChI=1S/C9H9N3O/c1-6-7(3-2-4-8(6)10)9-12-11-5-13-9/h2-5H,10H2,1H3
InChIKey
HJZKEYKUULQJLC-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1C)c1nnco1
Isomeric Smiles
c1(nnco1)c1c(c(N)ccc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.66242564
LogD (pH = 7.4)
0.66393197
Log P
0.6639512
Molar Refractivity
61.8268
Polarizability
18.619244
Polar Surface Area
64.94
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