Molecule

ID:125191

General Information
Structure
Molecular Formula
C₃₀H₂₂
Molecular Mass
382.49568
Exact Mass
382.1721507
Charge
0
InChI
InChI=1S/C30H22/c1-2-10-22-18-25(17-21(22)9-1)27-13-5-7-15-29(27)30-16-8-6-14-28(30)26-19-23-11-3-4-12-24(23)20-26/h1-17,19H,18,20H2
InChIKey
DGTWDUGCMACYFO-UHFFFAOYSA-N
Canonic Smiles
c1ccc(c(c1)c1ccccc1C1=Cc2c(C1)cccc2)C1=Cc2c(C1)cccc2
Isomeric Smiles
c1cccc2c1CC(=C2)c1ccccc1c1ccccc1C1=Cc2ccccc2C1
Calculated Properties
JChem
Acid pKa
14.266717
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.109196
LogD (pH = 7.4)
8.109196
Log P
8.109196
Molar Refractivity
127.9438
Polarizability
50.2419
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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