Molecule

ID:56393

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₁BrClNO
Molecular Mass
360.63234
Exact Mass
358.97125366
Charge
0
InChI
InChI=1S/C17H11BrClNO/c1-10-5-6-15-13(7-10)14(17(19)21)9-16(20-15)11-3-2-4-12(18)8-11/h2-9H,1H3
InChIKey
FWWGNZAPCMERLV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c(cc(n2)c1cccc(c1)Br)C(=O)Cl
Isomeric Smiles
c1(c2c(nc(c1)c1cc(Br)ccc1)ccc(c2)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.637058
LogD (pH = 7.4)
5.6370625
Log P
5.6370625
Molar Refractivity
88.5222
Polarizability
36.05239
Polar Surface Area
29.96
Rotatable Bonds
2
Lipinski's Rule of Five
false
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