Molecule

ID:26755

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀N₂OS
Molecular Mass
300.4185
Exact Mass
300.12963427
Charge
0
InChI
InChI=1S/C17H20N2OS/c1-2-11-7-9-12(10-8-11)19-17(20)15-13-5-3-4-6-14(13)21-16(15)18/h7-10H,2-6,18H2,1H3,(H,19,20)
InChIKey
LCKPCSFSCSSXDQ-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)NC(=O)c1c(N)sc2c1CCCC2
Isomeric Smiles
c1(c(sc2c1CCCC2)N)C(=O)Nc1ccc(cc1)CC
Calculated Properties
JChem
Acid pKa
11.992024
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
5.3753247
LogD (pH = 7.4)
5.3753157
Log P
5.375326
Molar Refractivity
89.6201
Polarizability
32.812008
Polar Surface Area
55.12
Rotatable Bonds
3
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