Molecule

ID:96384

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₇ClF₃N₃O₃S₂
Molecular Mass
491.9347896
Exact Mass
491.03519576
Charge
0
InChI
InChI=1S/C19H17ClF3N3O3S2/c1-11-17(18(20)25(2)24-11)31(27,28)26-9-7-15-14(8-10-30-15)16(26)12-3-5-13(6-4-12)29-19(21,22)23/h3-6,8,10,16H,7,9H2,1-2H3
InChIKey
JXNWGZMZOJMRRZ-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1S(=O)(=O)N1CCc2c(C1c1ccc(cc1)OC(F)(F)F)ccs2)Cl)C
Isomeric Smiles
S(=O)(=O)(c1c(n(C)nc1C)Cl)N1C(c2c(CC1)scc2)c1ccc(cc1)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.797491
LogD (pH = 7.4)
4.7975087
Log P
4.797509
Molar Refractivity
118.5857
Polarizability
42.55414
Polar Surface Area
64.43
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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