Molecule

ID:100404

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)12-6-4-11(5-7-12)22-13-8-3-10(9-18-13)14(15,16)17/h3-9H,1-2H3
InChIKey
XRDOEMCHXQFLOM-UHFFFAOYSA-N
Canonic Smiles
CN(S(=O)(=O)c1ccc(cc1)Oc1ccc(cn1)C(F)(F)F)C
Isomeric Smiles
n1cc(ccc1Oc1ccc(cc1)S(=O)(=O)N(C)C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7815413
LogD (pH = 7.4)
2.7815495
Log P
2.7815495
Molar Refractivity
78.3804
Polarizability
29.945053
Polar Surface Area
59.5
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation