Molecule

ID:83003

General Information
Structure
Molecular Formula
C₁₄H₁₆P₂S₂
Molecular Mass
310.354362
Exact Mass
310.01686577
Charge
0
InChI
InChI=1S/C14H16P2S2/c1-15(17,13-9-5-3-6-10-13)16(2,18)14-11-7-4-8-12-14/h3-12H,1-2H3
InChIKey
LHNGNWXNQAEZLR-UHFFFAOYSA-N
Canonic Smiles
CP(=S)(P(=S)(c1ccccc1)C)c1ccccc1
Isomeric Smiles
P(=S)(c1ccccc1)(P(=S)(c1ccccc1)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0234
LogD (pH = 7.4)
4.0234
Log P
4.0234
Molar Refractivity
92.1076
Polarizability
36.954758
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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