Molecule

ID:121794

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₂
Molecular Mass
221.63972
Exact Mass
221.02435618
Charge
0
InChI
InChI=1S/C11H8ClNO2/c1-15-10-4-2-8(3-5-10)6-9(7-13)11(12)14/h2-6H,1H3/b9-6-
InChIKey
UZSAZHVTRXUECQ-TWGQIWQCSA-N
Canonic Smiles
COc1ccc(cc1)/C=C(\C(=O)Cl)/C#N
Isomeric Smiles
C(=C\c1ccc(cc1)OC)(\C(=O)Cl)/C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3236032
LogD (pH = 7.4)
2.3236032
Log P
2.3236032
Molar Refractivity
58.4352
Polarizability
21.840229
Polar Surface Area
50.09
Rotatable Bonds
3
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