Molecule

ID:34925

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₇ClO₂
Molecular Mass
264.74728
Exact Mass
264.09170746
Charge
0
InChI
InChI=1S/C15H17ClO2/c1-3-8-17-14-6-4-12(5-7-14)15-9-13(10-16)11(2)18-15/h4-7,9H,3,8,10H2,1-2H3
InChIKey
JXVAPXYKOHTYQU-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)c1cc(c(o1)C)CCl
Isomeric Smiles
c1(oc(c(c1)CCl)C)c1ccc(cc1)OCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1891804
LogD (pH = 7.4)
4.1891804
Log P
4.1891804
Molar Refractivity
74.3375
Polarizability
29.761465
Polar Surface Area
22.37
Rotatable Bonds
5
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