Molecule

ID:78339

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀N₂O
Molecular Mass
102.135
Exact Mass
102.07931295
Charge
0
InChI
InChI=1S/C4H10N2O/c5-6-1-3-7-4-2-6/h1-5H2
InChIKey
MKQLBNJQQZRQJU-UHFFFAOYSA-N
Canonic Smiles
NN1CCOCC1
Isomeric Smiles
O1CCN(CC1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.7026631
LogD (pH = 7.4)
-1.1033512
Log P
-1.0865207
Molar Refractivity
28.252
Polarizability
10.922711
Polar Surface Area
38.49
Rotatable Bonds
0
Lipinski's Rule of Five
true
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
No Data Available
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Molecule Details
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References
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Bioactivity
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