Molecule

ID:82937

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClNO
Molecular Mass
195.6455
Exact Mass
195.04509163
Charge
0
InChI
InChI=1S/C10H10ClNO/c11-8-2-1-3-9-10(8)7(4-5-13)6-12-9/h1-3,6,12-13H,4-5H2
InChIKey
DCAPAWBGZKNLGC-UHFFFAOYSA-N
Canonic Smiles
OCCc1c[nH]c2c1c(Cl)ccc2
Isomeric Smiles
[nH]1c2cccc(c2c(c1)CCO)Cl
Calculated Properties
JChem
Acid pKa
15.753386
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
2.1973639
LogD (pH = 7.4)
2.1973639
Log P
2.1973639
Molar Refractivity
53.5202
Polarizability
21.627245
Polar Surface Area
36.02
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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