Molecule

ID:116902

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O
Molecular Mass
114.1457
Exact Mass
114.07931295
Charge
0
InChI
InChI=1S/C5H10N2O/c6-2-4-1-5(8)7-3-4/h4H,1-3,6H2,(H,7,8)
InChIKey
TXFBWVRKVAEOPA-UHFFFAOYSA-N
Canonic Smiles
NCC1CNC(=O)C1
Isomeric Smiles
N1C(=O)CC(C1)CN
Calculated Properties
JChem
Acid pKa
14.835431
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.725174
LogD (pH = 7.4)
-4.0010643
Log P
-1.7166401
Molar Refractivity
30.2169
Polarizability
11.95924
Polar Surface Area
55.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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