Molecule

ID:77957

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂O₂
Molecular Mass
188.22248
Exact Mass
188.08372962
Charge
0
InChI
InChI=1S/C12H12O2/c1-14-12-7-6-9-4-2-3-5-10(9)11(12)8-13/h2-7,13H,8H2,1H3
InChIKey
VBHARLNUEDIKQD-UHFFFAOYSA-N
Canonic Smiles
OCc1c(OC)ccc2c1cccc2
Isomeric Smiles
O(c1c(c2c(cc1)cccc2)CO)C
Calculated Properties
JChem
Acid pKa
14.859181
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0377016
LogD (pH = 7.4)
2.0377016
Log P
2.0377016
Molar Refractivity
55.7873
Polarizability
22.852715
Polar Surface Area
29.46
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