Molecule

ID:66780

General Information
Structure
MolImage
Molecular Formula
C₄H₃ClN₂O
Molecular Mass
130.53242
Exact Mass
129.99339041
Charge
0
InChI
InChI=1S/C4H3ClN2O/c5-3-1-4(8)7-2-6-3/h1-2H,(H,6,7,8)
InChIKey
AXFABVAPHSWFMD-UHFFFAOYSA-N
Canonic Smiles
Oc1ncnc(c1)Cl
Isomeric Smiles
c1nc(cc(n1)Cl)O
Calculated Properties
JChem
Acid pKa
11.146913
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.1648484
LogD (pH = 7.4)
1.1647729
Log P
1.1648495
Molar Refractivity
30.8828
Polarizability
11.198022
Polar Surface Area
46.01
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