Molecule

ID:17182

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀O₂
Molecular Mass
174.1959
Exact Mass
174.06807956
Charge
0
InChI
InChI=1S/C11H10O2/c1-2-10-9(7-12)8-5-3-4-6-11(8)13-10/h3-7H,2H2,1H3
InChIKey
LVRCCWCFOHNTLJ-UHFFFAOYSA-N
Canonic Smiles
CCc1oc2c(c1C=O)cccc2
Isomeric Smiles
c12c(c(oc1cccc2)CC)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5669553
LogD (pH = 7.4)
2.5669553
Log P
2.5669553
Molar Refractivity
51.1568
Polarizability
20.226297
Polar Surface Area
30.21
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