Molecule

ID:1522

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₃S
Molecular Mass
290.33756
Exact Mass
290.07251332
Charge
0
InChI
InChI=1S/C14H14N2O3S/c15-20(18,19)13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)(H2,15,18,19)
InChIKey
CZKNSZUJCJHTTM-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)S(=O)(=O)N)NCc1ccccc1
Isomeric Smiles
c1cc(ccc1C(=O)NCc1ccccc1)S(=O)(=O)N
Calculated Properties
JChem
LogD (pH = 7.4)
1.38
LogD (pH = 5.5)
1.38
Log P
1.38
Rotatable Bonds
4
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.95
Polar Surface Area
89.26
Polarizability
29.73
Molar Refractivity
76.80
LOG S
-3.32
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
References
Bioactivity
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