Molecule

ID:87805

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆BrNO
Molecular Mass
270.16554
Exact Mass
269.04152614
Charge
0
InChI
InChI=1S/C12H16BrNO/c1-12(2,3)14-11(15)8-9-5-4-6-10(13)7-9/h4-7H,8H2,1-3H3,(H,14,15)
InChIKey
SAYMAMMCRGZMPA-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(C)(C)C)Cc1cccc(c1)Br
Isomeric Smiles
Brc1cccc(c1)CC(=O)NC(C)(C)C
Calculated Properties
JChem
Acid pKa
14.733849
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8504398
LogD (pH = 7.4)
2.8504398
Log P
2.8504398
Molar Refractivity
65.5129
Polarizability
25.321383
Polar Surface Area
29.1
Rotatable Bonds
3
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