Molecule

ID:72365

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₀ClNO₃S
Molecular Mass
377.885
Exact Mass
377.08524219
Charge
0
InChI
InChI=1S/C19H20ClNO3S/c1-11(20)17(22)21-18-16(19(23)24-2)14-9-8-13(10-15(14)25-18)12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,21,22)
InChIKey
PRPCBZJISDZTNW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(NC(=O)C(Cl)C)sc2c1CCC(C2)c1ccccc1
Isomeric Smiles
c1(c(c2c(s1)CC(CC2)c1ccccc1)C(=O)OC)NC(=O)C(Cl)C
Calculated Properties
JChem
Acid pKa
9.977872
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.922482
LogD (pH = 7.4)
5.9214067
Log P
5.922496
Molar Refractivity
100.523
Polarizability
38.00722
Polar Surface Area
55.4
Rotatable Bonds
5
Lipinski's Rule of Five
false
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