Molecule

ID:96053

General Information
Structure
Molecular Formula
C₁₄H₉ClF₂N₂O₄S
Molecular Mass
374.7470664
Exact Mass
373.9939619
Charge
0
InChI
InChI=1S/C14H9ClF2N2O4S/c15-9-3-1-8(2-4-9)13(20)19-14(21)18-12-6-5-10(7-11(12)16)24(17,22)23/h1-7H,(H2,18,19,20,21)
InChIKey
VODPVCKMGSNXMO-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1F)S(=O)(=O)F)NC(=O)c1ccc(cc1)Cl
Isomeric Smiles
S(=O)(=O)(c1ccc(c(c1)F)NC(=O)NC(=O)c1ccc(cc1)Cl)F
Calculated Properties
JChem
Acid pKa
7.4716725
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.1208544
LogD (pH = 7.4)
2.8629255
Log P
3.1256537
Molar Refractivity
84.4145
Polarizability
31.553188
Polar Surface Area
92.34
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
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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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