Molecule

ID:32377

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀BrNO
Molecular Mass
264.1179
Exact Mass
262.99457595
Charge
0
InChI
InChI=1S/C12H10BrNO/c13-8-12(15)14-11-6-5-9-3-1-2-4-10(9)7-11/h1-7H,8H2,(H,14,15)
InChIKey
NJRSLKCYZKFNNN-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)Nc1ccc2c(c1)cccc2
Isomeric Smiles
C(=O)(Nc1cc2c(cc1)cccc2)CBr
Calculated Properties
JChem
Acid pKa
13.527342
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.923272
LogD (pH = 7.4)
2.9232717
Log P
2.923272
Molar Refractivity
65.1079
Polarizability
25.292032
Polar Surface Area
29.1
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