Molecule

ID:80955

General Information
Structure
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Molecular Formula
C₁₉H₁₈IP
Molecular Mass
404.224451
Exact Mass
404.01908521
Charge
0
InChI
InChI=1S/C19H18P.HI/c1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;/h2-16H,1H3;1H/q+1;/p-1
InChIKey
JNMIXMFEVJHFNY-UHFFFAOYSA-M
Canonic Smiles
C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
Isomeric Smiles
[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)C.[I-]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.731569
LogD (pH = 7.4)
4.731569
Log P
4.731569
Molar Refractivity
87.172
Polarizability
34.434486
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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