Molecule

ID:75584

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄BrNO
Molecular Mass
256.13896
Exact Mass
255.02587607
Charge
0
InChI
InChI=1S/C11H14BrNO/c1-11(2,3)13-10(14)8-4-6-9(12)7-5-8/h4-7H,1-3H3,(H,13,14)
InChIKey
FZMGMDLGMVXWCF-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)Br)NC(C)(C)C
Isomeric Smiles
N(C(C)(C)C)C(=O)c1ccc(cc1)Br
Calculated Properties
JChem
Acid pKa
14.998968
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8702743
LogD (pH = 7.4)
2.8702745
Log P
2.8702745
Molar Refractivity
61.4615
Polarizability
23.295334
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
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation