Molecule

ID:89117

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂N₂O
Molecular Mass
128.17228
Exact Mass
128.09496301
Charge
0
InChI
InChI=1S/C6H12N2O/c1-5(9)8-6-2-3-7-4-6/h6-7H,2-4H2,1H3,(H,8,9)/t6-/m1/s1
InChIKey
HDCCJUCOIKLZNM-ZCFIWIBFSA-N
Canonic Smiles
CC(=O)N[C@H]1CNCC1
Isomeric Smiles
N1CC[C@H](C1)NC(=O)C
Calculated Properties
JChem
Acid pKa
16.032026
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-4.4556684
LogD (pH = 7.4)
-4.0346265
Log P
-1.2228138
Molar Refractivity
34.6536
Polarizability
13.794192
Polar Surface Area
41.13
Rotatable Bonds
1
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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