Molecule

ID:88253

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClO
Molecular Mass
168.62016
Exact Mass
168.03419259
Charge
0
InChI
InChI=1S/C9H9ClO/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3
InChIKey
ZJIOBDJEKDUUCI-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(C)cc(c1)C
Isomeric Smiles
O=C(c1cc(cc(c1)C)C)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1910012
LogD (pH = 7.4)
3.1910012
Log P
3.1910012
Molar Refractivity
47.2551
Polarizability
17.599955
Polar Surface Area
17.07
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