Molecule

ID:56728

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅ClO₂
Molecular Mass
238.71
Exact Mass
238.0760574
Charge
0
InChI
InChI=1S/C13H15ClO2/c1-2-12(13(14)15)16-11-7-6-9-4-3-5-10(9)8-11/h6-8,12H,2-5H2,1H3
InChIKey
XJQASKFMNXNLIB-UHFFFAOYSA-N
Canonic Smiles
CCC(C(=O)Cl)Oc1ccc2c(c1)CCC2
Isomeric Smiles
C(=O)(C(Oc1cc2c(cc1)CCC2)CC)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9258597
LogD (pH = 7.4)
3.9258597
Log P
3.9258597
Molar Refractivity
64.3634
Polarizability
24.948141
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