Molecule
ID:123268
General Information
Molecular Formula
C₅H₇NO
Molecular Mass
97.11518
Exact Mass
97.05276385
Charge
0
InChI
InChI=1S/C5H7NO/c6-4-1-2-5(7)3-4/h3H,1-2,6H2
InChIKey
LSROXAYPMFICCA-UHFFFAOYSA-N
Canonic Smiles
NC1=CC(=O)CC1
Isomeric Smiles
C1=C(N)CCC1=O
Calculated Properties
JChem
Acid pKa
17.279
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6451094
LogD (pH = 7.4)
-0.4261343
Log P
-0.4224862
Molar Refractivity
28.4435
Polarizability
10.183695
Polar Surface Area
43.09
Rotatable Bonds
0
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
No Data Available
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Related Proteins
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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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