Molecule

ID:78670

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆O₃
Molecular Mass
280.31784
Exact Mass
280.10994437
Charge
0
InChI
InChI=1S/C18H16O3/c1-12-3-6-15(13(2)9-12)16(19)7-4-14-5-8-17-18(10-14)21-11-20-17/h3-10H,11H2,1-2H3
InChIKey
WOOXIWPUGLRDIS-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)C(=O)/C=C/c1ccc2c(c1)OCO2
Isomeric Smiles
O1c2c(ccc(c2)/C=C/C(=O)c2c(cc(cc2)C)C)OC1
Calculated Properties
JChem
Acid pKa
17.14614
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.5404015
LogD (pH = 7.4)
4.5404015
Log P
4.5404015
Molar Refractivity
82.7263
Polarizability
31.324112
Polar Surface Area
35.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
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
Bioactivity
Navigation