Molecule

ID:69512

General Information
Structure
MolImage
Molecular Formula
C₃H₉NO₂
Molecular Mass
91.10906
Exact Mass
91.06332853
Charge
0
InChI
InChI=1S/C3H9NO2/c4-1-3(6)2-5/h3,5-6H,1-2,4H2
InChIKey
KQIGMPWTAHJUMN-UHFFFAOYSA-N
Canonic Smiles
NCC(CO)O
Isomeric Smiles
C(C(CN)O)O
Calculated Properties
JChem
Acid pKa
14.010801
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-4.8980155
LogD (pH = 7.4)
-3.7473752
Log P
-1.9458958
Molar Refractivity
22.1736
Polarizability
9.061876
Polar Surface Area
66.48
Rotatable Bonds
2
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