Molecule

ID:34457

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NOS
Molecular Mass
205.27614
Exact Mass
205.05613498
Charge
0
InChI
InChI=1S/C11H11NOS/c12-9-3-5-11(6-4-9)14-8-10-2-1-7-13-10/h1-7H,8,12H2
InChIKey
AZVAAZQIUQJVOG-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)SCc1ccco1
Isomeric Smiles
c1cc(ccc1N)SCc1occc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2760565
LogD (pH = 7.4)
2.2972937
Log P
2.2975714
Molar Refractivity
60.724
Polarizability
22.807604
Polar Surface Area
39.16
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