Molecule

ID:70180

General Information
Structure
MolImage
Molecular Formula
C₃H₁₀N₂O
Molecular Mass
90.1243
Exact Mass
90.07931295
Charge
0
InChI
InChI=1S/C3H10N2O/c4-1-3(6)2-5/h3,6H,1-2,4-5H2
InChIKey
UYBWIEGTWASWSR-UHFFFAOYSA-N
Canonic Smiles
NCC(CN)O
Isomeric Smiles
C(C(CN)O)N
Calculated Properties
JChem
Acid pKa
14.550066
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-7.5301437
LogD (pH = 7.4)
-5.1774
Log P
-2.0527775
Molar Refractivity
23.8311
Polarizability
9.931533
Polar Surface Area
72.27
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
References
Bioactivity
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