Molecule

ID:75768

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄BrNO
Molecular Mass
268.14966
Exact Mass
267.02587607
Charge
0
InChI
InChI=1S/C12H14BrNO/c13-10-5-3-4-9(8-10)12(15)14-11-6-1-2-7-11/h3-5,8,11H,1-2,6-7H2,(H,14,15)
InChIKey
AEACXKKLFRTGSL-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)C(=O)NC1CCCC1
Isomeric Smiles
N(C1CCCC1)C(=O)c1cc(ccc1)Br
Calculated Properties
JChem
Acid pKa
14.759262
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.1710155
LogD (pH = 7.4)
3.1710167
Log P
3.1710167
Molar Refractivity
64.0691
Polarizability
24.411482
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