Molecule

ID:43197

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈O₂
Molecular Mass
184.19072
Exact Mass
184.0524295
Charge
0
InChI
InChI=1S/C12H8O2/c13-12-7-10-9-4-2-1-3-8(9)5-6-11(10)14-12/h1-6H,7H2
InChIKey
KVLORZFYGDNPIQ-UHFFFAOYSA-N
Canonic Smiles
O=C1Oc2c(C1)c1ccccc1cc2
Isomeric Smiles
c12c(OC(=O)C2)ccc2c1cccc2
Calculated Properties
JChem
Acid pKa
10.851831
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4310756
LogD (pH = 7.4)
2.4309242
Log P
2.4310775
Molar Refractivity
52.3045
Polarizability
21.554964
Polar Surface Area
26.3
Rotatable Bonds
0
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