Molecule

ID:102404

General Information
Structure
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Molecular Formula
C₄H₇NO₂
Molecular Mass
101.10388
Exact Mass
101.04767847
Charge
0
InChI
InChI=1S/C4H7NO2/c1-3(5-7)4(2)6/h7H,1-2H3
InChIKey
FSEUPUDHEBLWJY-UHFFFAOYSA-N
Canonic Smiles
C/C(=N\O)/C(=O)C
Isomeric Smiles
CC(=O)/C(=N/O)/C
Calculated Properties
JChem
Acid pKa
6.504975
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.364179
LogD (pH = 7.4)
-0.52803445
Log P
0.40497926
Molar Refractivity
25.3625
Polarizability
9.643563
Polar Surface Area
49.66
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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