Molecule

ID:36530

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO₂
Molecular Mass
235.6663
Exact Mass
235.04000625
Charge
0
InChI
InChI=1S/C12H10ClNO2/c1-8-4-2-3-5-9(8)6-10-11(7-13)14-16-12(10)15/h2-6H,7H2,1H3/b10-6+
InChIKey
JCDBNEOZROKDSW-UXBLZVDNSA-N
Canonic Smiles
ClCC1=NOC(=O)/C/1=C/c1ccccc1C
Isomeric Smiles
C\1(=C\c2c(C)cccc2)/C(=O)ON=C1CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7127676
LogD (pH = 7.4)
3.712772
Log P
3.712772
Molar Refractivity
62.8092
Polarizability
23.730135
Polar Surface Area
38.66
Rotatable Bonds
2
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