Molecule

ID:17853

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO
Molecular Mass
193.62962
Exact Mass
193.02944156
Charge
0
InChI
InChI=1S/C10H8ClNO/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,12H,5H2
InChIKey
LLZQFAXTCYDVTR-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)c1c[nH]c2c1cccc2
Isomeric Smiles
c12c(c[nH]c1cccc2)C(=O)CCl
Calculated Properties
JChem
Acid pKa
13.178627
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.166999
LogD (pH = 7.4)
2.1669984
Log P
2.166999
Molar Refractivity
52.3005
Polarizability
21.087996
Polar Surface Area
32.86
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