Molecule

ID:77917

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀N₂O
Molecular Mass
102.135
Exact Mass
102.07931295
Charge
0
InChI
InChI=1S/C4H10N2O/c1-6-4(7)2-3-5/h2-3,5H2,1H3,(H,6,7)
InChIKey
BFJOJIJWHRDGQO-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)CCN
Isomeric Smiles
O=C(NC)CCN
Calculated Properties
JChem
Acid pKa
16.402018
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.4278345
LogD (pH = 7.4)
-3.2052886
Log P
-1.4937294
Molar Refractivity
27.4217
Polarizability
10.84336
Polar Surface Area
55.12
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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