Molecule

ID:89481

General Information
Structure
MolImage
Molecular Formula
C₄H₈BrNO₂
Molecular Mass
182.01582
Exact Mass
180.9738405
Charge
0
InChI
InChI=1S/C4H7NO2.BrH/c5-3-1-2-7-4(3)6;/h3H,1-2,5H2;1H
InChIKey
MKLNTBLOABOJFZ-UHFFFAOYSA-N
Canonic Smiles
O=C1OCCC1N.Br
Isomeric Smiles
O1CCC(C1=O)N.Br
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.7108617
LogD (pH = 7.4)
-1.1681297
Log P
-0.9011904
Molar Refractivity
23.4142
Polarizability
9.7096
Polar Surface Area
52.32
Rotatable Bonds
0
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
References
Bioactivity
Navigation