Molecule

ID:83022

General Information
Structure
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Molecular Formula
C₂₅H₂₂P₂
Molecular Mass
384.389702
Exact Mass
384.11967396
Charge
0
InChI
InChI=1S/C25H22P2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2
InChIKey
XGCDBGRZEKYHNV-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)P(c1ccccc1)CP(c1ccccc1)c1ccccc1
Isomeric Smiles
P(c1ccccc1)(c1ccccc1)CP(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
7.2909
LogD (pH = 7.4)
7.2909
Log P
7.2909
Molar Refractivity
116.6195
Polarizability
46.516495
Polar Surface Area
0.0
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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