Molecule

ID:26713

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂OS
Molecular Mass
264.3864
Exact Mass
264.12963427
Charge
0
InChI
InChI=1S/C14H20N2OS/c15-13-12(14(17)16-9-7-8-9)10-5-3-1-2-4-6-11(10)18-13/h9H,1-8,15H2,(H,16,17)
InChIKey
KHJWXZXJBCNUNT-UHFFFAOYSA-N
Canonic Smiles
O=C(c1c(N)sc2c1CCCCCC2)NC1CC1
Isomeric Smiles
c1(c(sc2c1CCCCCC2)N)C(=O)NC1CC1
Calculated Properties
JChem
Acid pKa
15.950934
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.7544677
LogD (pH = 7.4)
3.7544696
Log P
3.7544696
Molar Refractivity
74.8327
Polarizability
27.922956
Polar Surface Area
55.12
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