Molecule

ID:53626

General Information
Structure
MolImage
Molecular Formula
C₄H₇NO
Molecular Mass
85.10448
Exact Mass
85.05276385
Charge
0
InChI
InChI=1S/C4H7NO/c1-2-3-4(5)6/h2-3H,1H3,(H2,5,6)/b3-2+
InChIKey
NQQRXZOPZBKCNF-NSCUHMNNSA-N
Canonic Smiles
C/C=C/C(=O)N
Isomeric Smiles
C(=O)(/C=C/C)N
Calculated Properties
JChem
Acid pKa
16.828648
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.11262384
LogD (pH = 7.4)
0.11263947
Log P
0.11263967
Molar Refractivity
24.7871
Polarizability
9.068256
Polar Surface Area
43.09
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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