Molecule

ID:68491

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O
Molecular Mass
114.1457
Exact Mass
114.07931295
Charge
0
InChI
InChI=1S/C5H10N2O/c6-4-2-1-3-7-5(4)8/h4H,1-3,6H2,(H,7,8)
InChIKey
YCCMTCQQDULIFE-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCCC1N
Isomeric Smiles
N1C(=O)C(CCC1)N
Calculated Properties
JChem
LogD (pH = 7.4)
-2.19
LogD (pH = 5.5)
-3.80
Log P
-1.11
Rotatable Bonds
0
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
8.44
Polar Surface Area
55.12
Polarizability
11.92
Molar Refractivity
30.01
LOG S
0.14
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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