Molecule

ID:40761

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁ClN₂O₂
Molecular Mass
262.69164
Exact Mass
262.05090528
Charge
0
InChI
InChI=1S/C13H11ClN2O2/c14-10-3-1-8(2-4-10)5-12(17)9-6-11(13(15)18)16-7-9/h1-4,6-7,16H,5H2,(H2,15,18)
InChIKey
VRZQQMBZGSUPEC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)CC(=O)c1c[nH]c(c1)C(=O)N
Isomeric Smiles
c1(cc([nH]c1)C(=O)N)C(=O)Cc1ccc(Cl)cc1
Calculated Properties
JChem
Acid pKa
10.614322
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.8198001
LogD (pH = 7.4)
1.8195481
Log P
1.8198034
Molar Refractivity
69.7022
Polarizability
26.100586
Polar Surface Area
75.95
Rotatable Bonds
4
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