Molecule

ID:26534

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂OS
Molecular Mass
260.35464
Exact Mass
260.09833414
Charge
0
InChI
InChI=1S/C14H16N2OS/c1-7-4-5-10(6-8(7)2)11-9(3)18-14(16)12(11)13(15)17/h4-6H,16H2,1-3H3,(H2,15,17)
InChIKey
VRTNCAXFIVFDRB-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(ccc1C)c1c(C)sc(c1C(=O)N)N
Isomeric Smiles
c1(c(sc(c1c1cc(c(cc1)C)C)C)N)C(=O)N
Calculated Properties
JChem
Acid pKa
15.671801
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.911327
LogD (pH = 7.4)
3.9113271
Log P
3.9113271
Molar Refractivity
76.3774
Polarizability
29.189535
Polar Surface Area
69.11
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