Molecule

ID:98911

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂F₃NO₂S
Molecular Mass
315.3107896
Exact Mass
315.05408429
Charge
0
InChI
InChI=1S/C14H12F3NO2S/c1-10-5-7-13(8-6-10)21(19,20)18-12-4-2-3-11(9-12)14(15,16)17/h2-9,18H,1H3
InChIKey
LAQWXSZWFLYJOE-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(F)(F)F
Isomeric Smiles
N(c1cc(ccc1)C(F)(F)F)S(=O)(=O)c1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
7.9404297
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.850788
LogD (pH = 7.4)
3.7562654
Log P
3.852181
Molar Refractivity
73.9051
Polarizability
28.068901
Polar Surface Area
46.17
Rotatable Bonds
3
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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