Molecule
ID:28588
General Information
Molecular Formula
C₄H₁₂N₂O
Molecular Mass
104.15088
Exact Mass
104.09496301
Charge
0
InChI
InChI=1S/C4H12N2O/c1-2-4(7)3-6-5/h4,6-7H,2-3,5H2,1H3
InChIKey
UIQGJTTVVCHBCQ-UHFFFAOYSA-N
Canonic Smiles
CCC(CNN)O
Isomeric Smiles
N(N)CC(O)CC
Calculated Properties
JChem
Acid pKa
14.859611
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.8102535
LogD (pH = 7.4)
-0.5652269
Log P
-0.5611189
Molar Refractivity
40.1308
Polarizability
11.572836
Polar Surface Area
58.28
Rotatable Bonds
3
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
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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