Molecule

ID:27697

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂S₂
Molecular Mass
254.3286
Exact Mass
254.01836957
Charge
0
InChI
InChI=1S/C10H10N2O2S2/c1-2-7-12-16(13,14)10-5-3-9(4-6-10)11-8-15/h2-6,12H,1,7H2
InChIKey
UPOGBKAGURHSDR-UHFFFAOYSA-N
Canonic Smiles
C=CCNS(=O)(=O)c1ccc(cc1)N=C=S
Isomeric Smiles
S(=O)(=O)(c1ccc(N=C=S)cc1)NCC=C
Calculated Properties
JChem
Acid pKa
10.034786
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.556016
LogD (pH = 7.4)
2.5551367
Log P
2.5560277
Molar Refractivity
69.3382
Polarizability
26.578783
Polar Surface Area
58.53
Rotatable Bonds
4
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