Molecule

ID:57503

General Information
Structure
MolImage
Molecular Formula
C₄H₅ClN₂O
Molecular Mass
132.5483
Exact Mass
132.00904047
Charge
0
InChI
InChI=1S/C4H5ClN2O/c1-3-6-4(2-5)8-7-3/h2H2,1H3
InChIKey
FYDQQEVRVKAASZ-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(on1)CCl
Isomeric Smiles
o1c(nc(n1)C)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0908202
LogD (pH = 7.4)
1.0908202
Log P
1.0908202
Molar Refractivity
30.4924
Polarizability
11.034072
Polar Surface Area
38.92
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