Molecule

ID:89630

General Information
Structure
MolImage
Molecular Formula
C₄H₇NO
Molecular Mass
85.10448
Exact Mass
85.05276385
Charge
0
InChI
InChI=1S/C4H7NO/c1-4-5-2-3-6-4/h2-3H2,1H3
InChIKey
GUXJXWKCUUWCLX-UHFFFAOYSA-N
Canonic Smiles
CC1=NCCO1
Isomeric Smiles
N1=C(OCC1)C
Calculated Properties
JChem
LogD (pH = 7.4)
-0.05
LogD (pH = 5.5)
-0.07
Log P
-0.05
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
4.28
Polar Surface Area
21.59
Polarizability
8.98
Molar Refractivity
22.67
LOG S
0.00
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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