Molecule

ID:70396

General Information
Structure
MolImage
Molecular Formula
C₄H₇NO
Molecular Mass
85.10448
Exact Mass
85.05276385
Charge
0
InChI
InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)
InChIKey
AIMMVWOEOZMVMS-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1CC1
Isomeric Smiles
C1(CC1)C(=O)N
Calculated Properties
JChem
LogD (pH = 7.4)
-0.25
LogD (pH = 5.5)
-0.25
Log P
-0.25
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
16.46
Polar Surface Area
43.09
Polarizability
8.76
Molar Refractivity
21.87
LOG S
-0.21
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