Molecule

ID:294

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅N₂O₂+
Molecular Mass
147.1955
Exact Mass
147.11335273
Charge
1
InChI
InChI=1S/C6H14N2O2/c1-8(2,3)4-5-10-6(7)9/h4-5H2,1-3H3,(H-,7,9)/p+1
InChIKey
VPJXQGSRWJZDOB-UHFFFAOYSA-O
Canonic Smiles
NC(=O)OCC[N+](C)(C)C
Isomeric Smiles
O(CC[N+](C)(C)C)C(=O)N
Calculated Properties
JChem
Acid pKa
15.226036
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-4.554689
LogD (pH = 7.4)
-4.5546737
Log P
-4.5546894
Molar Refractivity
50.0222
Polarizability
15.18228
Polar Surface Area
52.32
Rotatable Bonds
4
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-2.95
LOG S
-2.41
Solubility (Water)
7.06e-01 g/l
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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