Molecule

ID:127671

General Information
Structure
Molecular Formula
C₄₈H₃₀
Molecular Mass
606.7518
Exact Mass
606.23475096
Charge
0
InChI
InChI=1S/C48H30/c1-2-14-26-25(13-1)37-27-15-3-4-16-28(27)39-31-19-7-8-20-32(31)41-34-22-10-12-24-36(34)42-35-23-11-9-21-33(35)40-30-18-6-5-17-29(30)38(26)44-43(37)45(39)47(41)48(42)46(40)44/h1-24,37-42H
InChIKey
FYXBXZBCUROVBE-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)C1c3c4C2c2ccccc2C2c4c4c5c3C(c3c1cccc3)c1c(C5c3c(C4c4c2cccc4)cccc3)cccc1
Isomeric Smiles
c12c3c4c5c6c1C1c7c(cccc7)C6c6c(cccc6)C5c5c(cccc5)C4c4c(cccc4)C3c3c(cccc3)C2c2c1cccc2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
11.209474
LogD (pH = 7.4)
11.209474
Log P
11.209474
Molar Refractivity
195.9948
Polarizability
74.30854
Polar Surface Area
0.0
Rotatable Bonds
0
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
References
Bioactivity
Navigation