Molecule

ID:82947

General Information
Structure
MolImage
Molecular Formula
C₉H₁₂O
Molecular Mass
136.19098
Exact Mass
136.088815
Charge
0
InChI
InChI=1S/C9H12O/c1-8(2)10-9-6-4-3-5-7-9/h3-8H,1-2H3
InChIKey
ZYNMJJNWXVKJJV-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccccc1)C
Isomeric Smiles
O(c1ccccc1)C(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5889575
LogD (pH = 7.4)
2.5889575
Log P
2.5889575
Molar Refractivity
41.6886
Polarizability
16.551128
Polar Surface Area
9.23
Rotatable Bonds
2
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