Molecule

ID:63345

General Information
Structure
MolImage
Molecular Formula
C₅H₃ClN₂O
Molecular Mass
142.54312
Exact Mass
141.99339041
Charge
0
InChI
InChI=1S/C5H3ClN2O/c6-5-7-1-4(3-9)2-8-5/h1-3H
InChIKey
LJYQVOPFBNMTKJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnc(nc1)Cl
Isomeric Smiles
c1(Cl)ncc(C=O)cn1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.67078817
LogD (pH = 7.4)
0.67078817
Log P
0.67078817
Molar Refractivity
34.8049
Polarizability
12.532714
Polar Surface Area
42.85
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