Molecule

ID:82101

General Information
Structure
MolImage
Molecular Formula
C₅H₃Cl₂NO₂
Molecular Mass
179.98882
Exact Mass
178.9540837
Charge
0
InChI
InChI=1S/C5H3Cl2NO2/c1-8-4(9)2(6)3(7)5(8)10/h1H3
InChIKey
PYOLPWAVSYVLMM-UHFFFAOYSA-N
Canonic Smiles
O=C1N(C)C(=O)C(=C1Cl)Cl
Isomeric Smiles
N1(C(=O)C(=C(C1=O)Cl)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.36567777
LogD (pH = 7.4)
0.36567777
Log P
0.36567777
Molar Refractivity
37.8307
Polarizability
14.222987
Polar Surface Area
37.38
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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