Molecule

ID:24666

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀ClNO₂
Molecular Mass
283.7091
Exact Mass
283.04000625
Charge
0
InChI
InChI=1S/C16H10ClNO2/c17-13-7-3-1-6-11(13)15-9-12(16(19)20)10-5-2-4-8-14(10)18-15/h1-9H,(H,19,20)
InChIKey
QBRGQUCIJZKQAY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccccc1c1nc2ccccc2c(c1)C(=O)O
Isomeric Smiles
c1(nc2c(c(c1)C(=O)O)cccc2)c1c(Cl)cccc1
Calculated Properties
JChem
Acid pKa
3.5619807
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.4921265
LogD (pH = 7.4)
1.0691776
Log P
4.425604
Molar Refractivity
76.8045
Polarizability
32.124622
Polar Surface Area
50.19
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