Molecule

ID:134217

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₂O₂
Molecular Mass
200.23318
Exact Mass
200.08372962
Charge
0
InChI
InChI=1S/C13H12O2/c1-2-13(14)15-12-8-7-10-5-3-4-6-11(10)9-12/h3-9H,2H2,1H3
InChIKey
KVMXEPJRCAPKJL-UHFFFAOYSA-N
Canonic Smiles
CCC(=O)Oc1ccc2c(c1)cccc2
Isomeric Smiles
CCC(=O)Oc1ccc2ccccc2c1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2705195
LogD (pH = 7.4)
3.2705195
Log P
3.2705195
Molar Refractivity
58.2675
Polarizability
24.147339
Polar Surface Area
26.3
Rotatable Bonds
3
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