Molecule

ID:78535

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO
Molecular Mass
141.2108
Exact Mass
141.11536411
Charge
0
InChI
InChI=1S/C8H15NO/c1-9-5-2-8(3-6-9)4-7-10/h7-8H,2-6H2,1H3
InChIKey
RLBGFQHGJXQUKY-UHFFFAOYSA-N
Canonic Smiles
O=CCC1CCN(CC1)C
Isomeric Smiles
N1(CCC(CC=O)CC1)C
Calculated Properties
JChem
Acid pKa
17.833605
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.6391923
LogD (pH = 7.4)
-0.9017439
Log P
0.29326534
Molar Refractivity
42.0197
Polarizability
16.334124
Polar Surface Area
20.31
Rotatable Bonds
2
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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