Molecule

ID:24745

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c10-8(11)4-3-7-2-1-5-9-6-7/h7,9H,1-6H2,(H,10,11)
InChIKey
FCDZOPQSMGHRMK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCC1CCCNC1
Isomeric Smiles
C(=O)(CCC1CNCCC1)O
Calculated Properties
JChem
Acid pKa
4.605478
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.9227953
LogD (pH = 7.4)
-1.8808639
Log P
-1.8813818
Molar Refractivity
42.1744
Polarizability
16.785397
Polar Surface Area
49.33
Rotatable Bonds
3
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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