Molecule

ID:83007

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₁PS
Molecular Mass
336.430201
Exact Mass
336.1101583
Charge
0
InChI
InChI=1S/C21H21PS/c1-16-4-10-19(11-5-16)22(23,20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21/h4-15H,1-3H3
InChIKey
ITFYRQZRIAGVPR-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)P(=S)(c1ccc(cc1)C)c1ccc(cc1)C
Isomeric Smiles
P(=S)(c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
6.891
LogD (pH = 7.4)
6.891
Log P
6.891
Molar Refractivity
106.1803
Polarizability
41.552643
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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