Molecule

ID:96089

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂F₃N₂O₃PS
Molecular Mass
388.3013506
Exact Mass
388.02583454
Charge
0
InChI
InChI=1S/C15H12F3N2O3PS/c1-21-24(25,22-2)23-14-11(9-19)12(15(16,17)18)8-13(20-14)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey
GGWDXZGIFGNSOM-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(nc(cc1C(F)(F)F)c1ccccc1)OP(=S)(OC)OC
Isomeric Smiles
P(=S)(Oc1c(c(cc(n1)c1ccccc1)C(F)(F)F)C#N)(OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.805412
LogD (pH = 7.4)
4.805412
Log P
4.805412
Molar Refractivity
90.4834
Polarizability
35.703144
Polar Surface Area
64.37
Rotatable Bonds
6
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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