Molecule

ID:90680

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃BrClN
Molecular Mass
262.57392
Exact Mass
260.9919891
Charge
0
InChI
InChI=1S/C10H12BrN.ClH/c11-9-4-1-3-8(7-9)10(12)5-2-6-10;/h1,3-4,7H,2,5-6,12H2;1H
InChIKey
LCTUCCMRTJSTME-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)C1(N)CCC1.Cl
Isomeric Smiles
NC1(c2cc(ccc2)Br)CCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.30469868
LogD (pH = 7.4)
0.4483752
Log P
2.7016687
Molar Refractivity
53.856
Polarizability
21.193178
Polar Surface Area
26.02
Rotatable Bonds
1
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