Molecule

ID:56284

General Information
Structure
MolImage
Molecular Formula
C₅H₄ClNO₂
Molecular Mass
145.54376
Exact Mass
144.99305605
Charge
0
InChI
InChI=1S/C5H4ClNO2/c1-3-2-4(5(6)8)7-9-3/h2H,1H3
InChIKey
XMVNMWDLOGSUSM-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(no1)C(=O)Cl
Isomeric Smiles
c1(noc(c1)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1141154
LogD (pH = 7.4)
1.1141155
Log P
1.1141155
Molar Refractivity
33.3924
Polarizability
12.026459
Polar Surface Area
43.1
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