Molecule

ID:55073

General Information
Structure
MolImage
Molecular Formula
C₄H₉NO
Molecular Mass
87.12036
Exact Mass
87.06841391
Charge
0
InChI
InChI=1S/C4H9NO/c5-4-1-2-6-3-4/h4H,1-3,5H2
InChIKey
MIPHRQMEIYLZFZ-UHFFFAOYSA-N
Canonic Smiles
NC1COCC1
Isomeric Smiles
C1CC(CO1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.7259088
LogD (pH = 7.4)
-2.9165251
Log P
-0.7242325
Molar Refractivity
23.5289
Polarizability
9.589044
Polar Surface Area
35.25
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...