Molecule

ID:132570

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀N₂O
Molecular Mass
102.135
Exact Mass
102.07931295
Charge
0
InChI
InChI=1S/C4H10N2O/c1-3-6(4-2)5-7/h3-4H2,1-2H3
InChIKey
WBNQDOYYEUMPFS-UHFFFAOYSA-N
Canonic Smiles
CCN(N=O)CC
Isomeric Smiles
CCN(CC)N=O
Calculated Properties
JChem
LogD (pH = 7.4)
0.75
LogD (pH = 5.5)
0.75
Log P
0.75
Rotatable Bonds
3
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
3.32
Polar Surface Area
32.67
Polarizability
10.99
Molar Refractivity
29.55
LOG S
-0.69
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
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Molecule Details
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References
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Bioactivity
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