Molecule

ID:57559

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c1-6(2)9-5-3-4-7(9)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKey
CKPAOPWAVKSUPQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN1C(C)C
Isomeric Smiles
C1N(C(CC1)C(=O)O)C(C)C
Calculated Properties
JChem
Acid pKa
1.9219801
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6715406
LogD (pH = 7.4)
-1.6715615
Log P
-1.6714786
Molar Refractivity
42.5264
Polarizability
16.785397
Polar Surface Area
40.54
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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