Molecule

ID:18813

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂OS
Molecular Mass
210.29596
Exact Mass
210.08268408
Charge
0
InChI
InChI=1S/C10H14N2OS/c1-8-9(7-13)14-10(11-8)12-5-3-2-4-6-12/h7H,2-6H2,1H3
InChIKey
VMRLGMBBXTUOSO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc(nc1C)N1CCCCC1
Isomeric Smiles
c1(nc(c(s1)C=O)C)N1CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2509663
LogD (pH = 7.4)
2.25101
Log P
2.2510104
Molar Refractivity
58.2699
Polarizability
21.413082
Polar Surface Area
33.2
Rotatable Bonds
2
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