Molecule

ID:131602

General Information
Structure
MolImage
Molecular Formula
C₅H₁₅NO₂
Molecular Mass
121.1781
Exact Mass
121.11027873
Charge
0
InChI
InChI=1S/C5H14NO.H2O/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H2/q+1;/p-1
InChIKey
KIZQNNOULOCVDM-UHFFFAOYSA-M
Canonic Smiles
OCC[N+](C)(C)C.[OH-]
Isomeric Smiles
C[N+](C)(C)CCO.[OH-]
Calculated Properties
JChem
Acid pKa
13.968714
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-4.662269
LogD (pH = 7.4)
-4.6622667
Log P
-4.662269
Molar Refractivity
42.194
Polarizability
12.021414
Polar Surface Area
20.23
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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