Molecule

ID:68391

General Information
Structure
MolImage
Molecular Formula
C₃₉H₃₂OP₂
Molecular Mass
578.618302
Exact Mass
578.1928389
Charge
0
InChI
InChI=1S/C39H32OP2/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32/h3-28H,1-2H3
InChIKey
CXNIUSPIQKWYAI-UHFFFAOYSA-N
Canonic Smiles
CC1(C)c2cccc(c2Oc2c1cccc2P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
Isomeric Smiles
C1(c2cccc(c2Oc2c(cccc12)P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1)(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
10.3934
LogD (pH = 7.4)
10.3934
Log P
10.3934
Molar Refractivity
186.6259
Polarizability
69.32507
Polar Surface Area
9.23
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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