Molecule

ID:57451

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅NO
Molecular Mass
117.1894
Exact Mass
117.11536411
Charge
0
InChI
InChI=1S/C6H15NO/c1-6(2)7-4-3-5-8/h6-8H,3-5H2,1-2H3
InChIKey
GZCPWFOPXIDRDP-UHFFFAOYSA-N
Canonic Smiles
OCCCNC(C)C
Isomeric Smiles
OCCCNC(C)C
Calculated Properties
JChem
Acid pKa
15.9338255
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.2758398
LogD (pH = 7.4)
-2.6959608
Log P
-0.049637765
Molar Refractivity
35.0185
Polarizability
13.926987
Polar Surface Area
32.26
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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