Molecule

ID:75634

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀BrNO
Molecular Mass
276.1286
Exact Mass
274.99457595
Charge
0
InChI
InChI=1S/C13H10BrNO/c14-11-8-6-10(7-9-11)13(16)15-12-4-2-1-3-5-12/h1-9H,(H,15,16)
InChIKey
QVTGXXQAVWWJRO-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)C(=O)Nc1ccccc1
Isomeric Smiles
N(c1ccccc1)C(=O)c1ccc(cc1)Br
Calculated Properties
JChem
Acid pKa
13.866724
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.8338833
LogD (pH = 7.4)
3.833883
Log P
3.8338833
Molar Refractivity
69.2143
Polarizability
25.654428
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