Molecule

ID:11686

General Information
Structure
MolImage
Molecular Formula
C₇H₁₇NO
Molecular Mass
131.21598
Exact Mass
131.13101417
Charge
0
InChI
InChI=1S/C7H17NO/c1-7(2)6-8-4-3-5-9/h7-9H,3-6H2,1-2H3
InChIKey
DQTOAJHGPKIACO-UHFFFAOYSA-N
Canonic Smiles
OCCCNCC(C)C
Isomeric Smiles
N(CCCO)CC(C)C
Calculated Properties
JChem
Acid pKa
15.933839
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.8106852
LogD (pH = 7.4)
-2.3646235
Log P
0.42128244
Molar Refractivity
39.5953
Polarizability
15.770842
Polar Surface Area
32.26
Rotatable Bonds
5
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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