Molecule

ID:28589

General Information
Structure
MolImage
Molecular Formula
C₃H₁₀N₂O
Molecular Mass
90.1243
Exact Mass
90.07931295
Charge
0
InChI
InChI=1S/C3H10N2O/c1-3(6)2-5-4/h3,5-6H,2,4H2,1H3
InChIKey
OWXTVVMIMIRMLL-UHFFFAOYSA-N
Canonic Smiles
CC(CNN)O
Isomeric Smiles
N(N)CC(O)C
Calculated Properties
JChem
Acid pKa
15.249444
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.3331286
LogD (pH = 7.4)
-1.0877566
Log P
-1.0836413
Molar Refractivity
35.6068
Polarizability
9.736402
Polar Surface Area
58.28
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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