Molecule

ID:64829

General Information
Structure
MolImage
Molecular Formula
C₉H₁₁BrClNS
Molecular Mass
280.61234
Exact Mass
278.94841004
Charge
0
InChI
InChI=1S/C9H10BrNS.ClH/c10-6-1-2-9-7(5-6)8(11)3-4-12-9;/h1-2,5,8H,3-4,11H2;1H
InChIKey
PHXMSFQOCYPAGT-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)C(N)CCS2.Cl
Isomeric Smiles
c1(ccc2c(c1)C(CCS2)N)Br.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.6443296
LogD (pH = 7.4)
0.31931838
Log P
2.3404078
Molar Refractivity
57.5289
Polarizability
22.415226
Polar Surface Area
26.02
Rotatable Bonds
0
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