Molecule

ID:26720

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂OS
Molecular Mass
210.29596
Exact Mass
210.08268408
Charge
0
InChI
InChI=1S/C10H14N2OS/c11-9-8(4-7-14-9)10(13)12-5-2-1-3-6-12/h4,7H,1-3,5-6,11H2
InChIKey
URCQHFDULCKXQL-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccsc1N)N1CCCCC1
Isomeric Smiles
c1(C(=O)N2CCCCC2)c(scc1)N
Calculated Properties
JChem
Acid pKa
19.004286
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8891163
LogD (pH = 7.4)
1.8891163
Log P
1.8891163
Molar Refractivity
58.0379
Polarizability
21.463745
Polar Surface Area
46.33
Rotatable Bonds
1
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