Molecule

ID:89989

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄BrNO₂S
Molecular Mass
292.19266
Exact Mass
290.99286169
Charge
0
InChI
InChI=1S/C10H14BrNO2S/c1-10(2,3)12-15(13,14)9-6-4-5-8(11)7-9/h4-7,12H,1-3H3
InChIKey
PKTQHWKZGFKXGT-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)S(=O)(=O)NC(C)(C)C
Isomeric Smiles
Brc1cccc(c1)S(=O)(=O)NC(C)(C)C
Calculated Properties
JChem
Acid pKa
9.499776
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6256263
LogD (pH = 7.4)
2.6226206
Log P
2.625665
Molar Refractivity
64.541
Polarizability
25.81003
Polar Surface Area
46.17
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