Molecule
ID:79884
General Information
Molecular Formula
C₁₁H₁₀O₃
Molecular Mass
190.1953
Exact Mass
190.06299418
Charge
0
InChI
InChI=1S/C11H10O3/c12-8-6-4-1-2-5(3-4)7(6)9(13)11-10(8)14-11/h1-2,4-7,10-11H,3H2
InChIKey
CDIVHOHRKOWDBQ-UHFFFAOYSA-N
Canonic Smiles
O=C1C2C3C=CC(C2C(=O)C2C1O2)C3
Isomeric Smiles
O1C2C1C(=O)C1C(C2=O)C2C=CC1C2
Calculated Properties
JChem
Acid pKa
16.151207
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8555691
LogD (pH = 7.4)
0.8555691
Log P
0.8555691
Molar Refractivity
48.4145
Polarizability
18.717737
Polar Surface Area
46.67
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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
Loading...
Bioactivity
Loading...