Molecule

ID:100403

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃F₃N₂O₃S
Molecular Mass
346.3248296
Exact Mass
346.05989795
Charge
0
InChI
InChI=1S/C14H13F3N2O3S/c1-19(2)23(20,21)12-5-3-11(4-6-12)22-13-9-10(7-8-18-13)14(15,16)17/h3-9H,1-2H3
InChIKey
ZMFHQLWROLPAKR-UHFFFAOYSA-N
Canonic Smiles
CN(S(=O)(=O)c1ccc(cc1)Oc1nccc(c1)C(F)(F)F)C
Isomeric Smiles
n1ccc(cc1Oc1ccc(cc1)S(=O)(=O)N(C)C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7814898
LogD (pH = 7.4)
2.7815487
Log P
2.7815495
Molar Refractivity
78.3804
Polarizability
29.94417
Polar Surface Area
59.5
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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