Molecule

ID:74500

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O
Molecular Mass
114.1457
Exact Mass
114.07931295
Charge
0
InChI
InChI=1S/C5H10N2O/c1-6-3-4-7(2)5(6)8/h3-4H2,1-2H3
InChIKey
CYSGHNMQYZDMIA-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(C1=O)C
Isomeric Smiles
N1(CCN(C1=O)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.64065456
LogD (pH = 7.4)
-0.64065456
Log P
-0.64065456
Molar Refractivity
30.7604
Polarizability
11.584517
Polar Surface Area
23.55
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
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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