Molecule

ID:41738

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₃ClN₂O₃S
Molecular Mass
370.89412
Exact Mass
370.11179129
Charge
0
InChI
InChI=1S/C17H22N2O3S.ClH/c1-13(20)19-15(16(21)22)12-23-17(19)7-9-18(10-8-17)11-14-5-3-2-4-6-14;/h2-6,15H,7-12H2,1H3,(H,21,22);1H
InChIKey
SFIIFKHWLIAPGO-UHFFFAOYSA-N
Canonic Smiles
CC(=O)N1C(CSC21CCN(CC2)Cc1ccccc1)C(=O)O.Cl
Isomeric Smiles
N1(C2(SCC1C(=O)O)CCN(CC2)Cc1ccccc1)C(=O)C.Cl
Calculated Properties
JChem
Acid pKa
3.5030844
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.64366376
LogD (pH = 7.4)
-0.666541
Log P
-0.64195657
Molar Refractivity
89.8052
Polarizability
35.45133
Polar Surface Area
60.85
Rotatable Bonds
3
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