Molecule

ID:69859

General Information
Structure
MolImage
Molecular Formula
C₃₃H₄₉P
Molecular Mass
476.715921
Exact Mass
476.3571882
Charge
0
InChI
InChI=1S/C33H49P/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3
InChIKey
UGOMMVLRQDMAQQ-UHFFFAOYSA-N
Canonic Smiles
CC(c1cc(cc(c1c1ccccc1P(C1CCCCC1)C1CCCCC1)C(C)C)C(C)C)C
Isomeric Smiles
c1(c(cccc1)P(C1CCCCC1)C1CCCCC1)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
10.071707
LogD (pH = 7.4)
10.197986
Log P
10.3948
Molar Refractivity
151.7063
Polarizability
61.180626
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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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