Molecule

ID:70950

General Information
Structure
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h6-7H,1-5,9H2,(H,10,11)
InChIKey
WAMWSIDTKSNDCU-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)O)C1CCCCC1
Isomeric Smiles
C(=O)(C(C1CCCCC1)N)O
Calculated Properties
JChem
Acid pKa
2.6718812
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.0834962
LogD (pH = 7.4)
-1.0856206
Log P
-1.0832036
Molar Refractivity
41.4937
Polarizability
16.785397
Polar Surface Area
63.32
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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