Molecule

ID:74871

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₄ClOP
Molecular Mass
418.894921
Exact Mass
418.1253297
Charge
0
InChI
InChI=1S/C26H24OP.ClH/c1-27-23-19-17-22(18-20-23)21-28(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1
InChIKey
YQXBNCFNXOFWLR-UHFFFAOYSA-M
Canonic Smiles
COc1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)Cc1ccc(cc1)OC.[Cl-]
Calculated Properties
JChem
Acid pKa
17.0569
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.194593
LogD (pH = 7.4)
6.194593
Log P
6.194593
Molar Refractivity
118.297
Polarizability
46.532074
Polar Surface Area
9.23
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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