Molecule

ID:109008

General Information
Structure
MolImage
Molecular Formula
C₄H₇NO
Molecular Mass
85.10448
Exact Mass
85.05276385
Charge
0
InChI
InChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
InChIKey
HNJBEVLQSNELDL-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCN1
Isomeric Smiles
O=C1CCCN1
Calculated Properties
JChem
LogD (pH = 7.4)
-0.58
LogD (pH = 5.5)
-0.58
Log P
-0.58
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
14.75
Polar Surface Area
29.10
Polarizability
8.70
Molar Refractivity
22.26
LOG S
0.50
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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