Molecule

ID:56753

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇ClO₂
Molecular Mass
240.72588
Exact Mass
240.09170746
Charge
0
InChI
InChI=1S/C13H17ClO2/c1-9(2)10-5-7-11(8-6-10)16-13(3,4)12(14)15/h5-9H,1-4H3
InChIKey
TUBKSZQKPPEWHW-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)OC(C(=O)Cl)(C)C)C
Isomeric Smiles
C(C(=O)Cl)(Oc1ccc(cc1)C(C)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0734267
LogD (pH = 7.4)
4.0734267
Log P
4.0734267
Molar Refractivity
65.8623
Polarizability
25.747583
Polar Surface Area
26.3
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