Molecule

ID:89493

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₂O
Molecular Mass
114.1457
Exact Mass
114.07931295
Charge
0
InChI
InChI=1S/C5H10N2O/c8-5-7-3-1-6-2-4-7/h5-6H,1-4H2
InChIKey
MSSDTZLYNMFTKN-UHFFFAOYSA-N
Canonic Smiles
O=CN1CCNCC1
Isomeric Smiles
N1(CCNCC1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.4431963
LogD (pH = 7.4)
-1.7290066
Log P
-1.1675633
Molar Refractivity
30.5242
Polarizability
11.95924
Polar Surface Area
32.34
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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