Molecule

ID:134995

General Information
Structure
MolImage
Molecular Formula
C₂H₇NO₂
Molecular Mass
77.08248
Exact Mass
77.04767847
Charge
0
InChI
InChI=1S/C2H4O2.H3N/c1-2(3)4;/h1H3,(H,3,4);1H3
InChIKey
USFZMSVCRYTOJT-UHFFFAOYSA-N
Canonic Smiles
CC(=O)O.N
Isomeric Smiles
CC(=O)O.N
Calculated Properties
JChem
Acid pKa
4.54344
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2242727
LogD (pH = 7.4)
-2.9968748
Log P
-0.22334571
Molar Refractivity
12.6437
Polarizability
5.030792
Polar Surface Area
37.3
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