Molecule

ID:32262

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇BrN₂O₂
Molecular Mass
325.20098
Exact Mass
324.04733979
Charge
0
InChI
InChI=1S/C14H17BrN2O2/c15-10-13(18)16-12-7-3-2-6-11(12)14(19)17-8-4-1-5-9-17/h2-3,6-7H,1,4-5,8-10H2,(H,16,18)
InChIKey
BNFFDTGTGKAMIN-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)Nc1ccccc1C(=O)N1CCCCC1
Isomeric Smiles
C(=O)(c1c(NC(=O)CBr)cccc1)N1CCCCC1
Calculated Properties
JChem
Acid pKa
12.27056
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7321532
LogD (pH = 7.4)
2.7321482
Log P
2.732154
Molar Refractivity
79.6715
Polarizability
29.267258
Polar Surface Area
49.41
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