Molecule

ID:96650

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄F₃N₂O₃PS
Molecular Mass
378.3065306
Exact Mass
378.04148461
Charge
0
InChI
InChI=1S/C14H14F3N2O3PS/c1-9-8-12(22-23(24,20-2)21-3)19-13(18-9)10-4-6-11(7-5-10)14(15,16)17/h4-8H,1-3H3
InChIKey
HKNHSGQHPPRVHS-UHFFFAOYSA-N
Canonic Smiles
COP(=S)(Oc1cc(C)nc(n1)c1ccc(cc1)C(F)(F)F)OC
Isomeric Smiles
n1c(cc(nc1c1ccc(cc1)C(F)(F)F)C)OP(=S)(OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.021583
LogD (pH = 7.4)
5.028437
Log P
5.0285254
Molar Refractivity
98.8214
Polarizability
34.12796
Polar Surface Area
53.47
Rotatable Bonds
6
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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