Molecule

ID:30716

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂O₂
Molecular Mass
176.21178
Exact Mass
176.08372962
Charge
0
InChI
InChI=1S/C11H12O2/c1-9(2)8-13-11-5-3-4-10(6-11)7-12/h3-7H,1,8H2,2H3
InChIKey
HKEUNLNJRSTCMJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)OCC(=C)C
Isomeric Smiles
C(=C)(COc1cc(C=O)ccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.502688
LogD (pH = 7.4)
2.502688
Log P
2.502688
Molar Refractivity
52.5499
Polarizability
20.024445
Polar Surface Area
26.3
Rotatable Bonds
4
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