Molecule

ID:127047

General Information
Structure
Molecular Formula
C₃₂H₁₆
Molecular Mass
400.46944
Exact Mass
400.12520051
Charge
0
InChI
InChI=1S/C32H16/c1-2-6-18-17(5-1)21-9-13-25-27-15-11-23-19-7-3-4-8-20(19)24-12-16-28(32(27)30(23)24)26-14-10-22(18)29(21)31(25)26/h1-16H
InChIKey
BKMIWBZIQAAZBD-UHFFFAOYSA-N
Canonic Smiles
c1ccc2=c3c4c(=c2c1)ccc1c4c(cc3)c2c3c1ccc1=c4c(=c(c31)cc2)cccc4
Isomeric Smiles
c1cc2=c3ccc4c5ccc6=c7ccccc7=c7c6c5c(c5c4c3c(=c2cc1)cc5)cc7
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.915814
LogD (pH = 7.4)
7.915814
Log P
7.915814
Molar Refractivity
131.6016
Polarizability
61.716072
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
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
References
Bioactivity
Navigation