Molecule

ID:25527

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₄ClNO₂
Molecular Mass
311.76226
Exact Mass
311.07130637
Charge
0
InChI
InChI=1S/C18H14ClNO2/c1-10-4-3-5-12(8-10)16-9-14(18(21)22)13-6-7-15(19)11(2)17(13)20-16/h3-9H,1-2H3,(H,21,22)
InChIKey
ZQUGUBWZURTKAI-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)c1cc(C(=O)O)c2c(n1)c(C)c(cc2)Cl
Isomeric Smiles
c12nc(cc(c1ccc(c2C)Cl)C(=O)O)c1cc(ccc1)C
Calculated Properties
JChem
Acid pKa
3.5801096
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.5364895
LogD (pH = 7.4)
2.1020777
Log P
5.4524465
Molar Refractivity
86.8869
Polarizability
35.64636
Polar Surface Area
50.19
Rotatable Bonds
2
Lipinski's Rule of Five
false
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