Molecule

ID:73845

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃ClO
Molecular Mass
196.67332
Exact Mass
196.06549272
Charge
0
InChI
InChI=1S/C11H13ClO/c1-8-6-10(7-9(2)12)4-5-11(8)13-3/h4-6H,2,7H2,1,3H3
InChIKey
PZOINRLVXLYZFA-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C)CC(=C)Cl
Isomeric Smiles
O(c1c(cc(cc1)CC(=C)Cl)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5084224
LogD (pH = 7.4)
3.5084224
Log P
3.5084224
Molar Refractivity
56.7199
Polarizability
21.713886
Polar Surface Area
9.23
Rotatable Bonds
3
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