Molecule

ID:111664

General Information
Structure
MolImage
Molecular Formula
C₃₀H₂₁P
Molecular Mass
412.461501
Exact Mass
412.1380873
Charge
0
InChI
InChI=1S/C30H21P/c1-4-16-25-22(10-1)13-7-19-28(25)31(29-20-8-14-23-11-2-5-17-26(23)29)30-21-9-15-24-12-3-6-18-27(24)30/h1-21H
InChIKey
DMEUUKUNSVFYAA-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)c(ccc2)P(c1cccc2c1cccc2)c1cccc2c1cccc2
Isomeric Smiles
c1cc2cccc(P(c3c4ccccc4ccc3)c3c4ccccc4ccc3)c2cc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
8.1132
LogD (pH = 7.4)
8.1132
Log P
8.1132
Molar Refractivity
130.9735
Polarizability
55.29223
Polar Surface Area
0.0
Rotatable Bonds
3
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