Molecule

ID:101784

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀N₂O
Molecular Mass
102.135
Exact Mass
102.07931295
Charge
0
InChI
InChI=1S/C4H10N2O/c1-2-3-4(5)6-7/h7H,2-3H2,1H3,(H2,5,6)
InChIKey
OPENCMFJZQABIY-UHFFFAOYSA-N
Canonic Smiles
CCC/C(=N/O)/N
Isomeric Smiles
C(=N\O)(\N)/CCC
Calculated Properties
JChem
Acid pKa
12.448715
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.407142
LogD (pH = 7.4)
0.16581826
Log P
0.18146263
Molar Refractivity
27.6376
Polarizability
10.669806
Polar Surface Area
58.61
Rotatable Bonds
2
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
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References
Bioactivity
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