Molecule

ID:121727

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO
Molecular Mass
207.6562
Exact Mass
207.04509163
Charge
0
InChI
InChI=1S/C11H10ClNO/c1-7-5-8-6-9(14-2)3-4-10(8)13-11(7)12/h3-6H,1-2H3
InChIKey
TVLTWDTZDXOKCD-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)cc(c(n2)Cl)C
Isomeric Smiles
n1c(c(cc2c1ccc(c2)OC)C)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3108559
LogD (pH = 7.4)
3.3108723
Log P
3.3108726
Molar Refractivity
57.3498
Polarizability
23.146147
Polar Surface Area
22.12
Rotatable Bonds
1
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