Molecule

ID:91996

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁BrN₂O₂
Molecular Mass
235.07844
Exact Mass
234.0003896
Charge
0
InChI
InChI=1S/C7H11BrN2O2/c8-4-2-1-3-5-6(11)10-7(12)9-5/h5H,1-4H2,(H2,9,10,11,12)
InChIKey
TWRKXHFCQVEYHI-UHFFFAOYSA-N
Canonic Smiles
BrCCCCC1NC(=O)NC1=O
Isomeric Smiles
N1C(=O)NC(=O)C1CCCCBr
Calculated Properties
JChem
Acid pKa
9.679055
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.63358355
LogD (pH = 7.4)
0.6313599
Log P
0.633612
Molar Refractivity
47.2292
Polarizability
18.292694
Polar Surface Area
58.2
Rotatable Bonds
4
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