Molecule

ID:76486

General Information
Structure
Molecular Formula
C₃₀H₁₈
Molecular Mass
378.46392
Exact Mass
378.14085058
Charge
0
InChI
InChI=1S/C30H18/c1-4-10-25(11-5-1)16-19-28-22-29(20-17-26-12-6-2-7-13-26)24-30(23-28)21-18-27-14-8-3-9-15-27/h1-15,22-24H
InChIKey
YUOGUVUAZGQYFR-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)C#Cc1cc(C#Cc2ccccc2)cc(c1)C#Cc1ccccc1
Isomeric Smiles
c1c(cc(cc1C#Cc1ccccc1)C#Cc1ccccc1)C#Cc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.336453
LogD (pH = 7.4)
8.336453
Log P
8.336453
Molar Refractivity
109.5678
Polarizability
47.01686
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
false
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