Molecule

ID:57842

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O
Molecular Mass
114.1457
Exact Mass
114.07931295
Charge
0
InChI
InChI=1S/C5H10N2O/c1-7-4-2-3-6-5(7)8/h2-4H2,1H3,(H,6,8)
InChIKey
COYPZADTXISTSJ-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCCN1C
Isomeric Smiles
C1CNC(=O)N(C1)C
Calculated Properties
JChem
Acid pKa
14.391056
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-0.8043709
LogD (pH = 7.4)
-0.8043709
Log P
-0.8043709
Molar Refractivity
30.7291
Polarizability
11.584517
Polar Surface Area
32.34
Rotatable Bonds
0
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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