Molecule

ID:113651

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀BrNO
Molecular Mass
276.1286
Exact Mass
274.99457595
Charge
0
InChI
InChI=1S/C13H10BrNO/c14-10-6-7-12(15)11(8-10)13(16)9-4-2-1-3-5-9/h1-8H,15H2
InChIKey
LXJVUGANBDAASB-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)C(=O)c1ccccc1)N
Isomeric Smiles
c1(C(=O)c2ccccc2)c(ccc(c1)Br)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.022241
LogD (pH = 7.4)
4.0224233
Log P
4.0224257
Molar Refractivity
68.9567
Polarizability
25.8272
Polar Surface Area
43.09
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