Molecule

ID:74465

General Information
Structure
MolImage
Molecular Formula
C₈H₁₅NO₂
Molecular Mass
157.2102
Exact Mass
157.11027873
Charge
0
InChI
InChI=1S/C8H15NO2/c1-6(10)9-7-2-4-8(11)5-3-7/h7-8,11H,2-5H2,1H3,(H,9,10)/t7-,8+
InChIKey
HWAFCRWGGRVEQL-OCAPTIKFSA-N
Canonic Smiles
O[C@@H]1CC[C@@H](CC1)NC(=O)C
Isomeric Smiles
N([C@H]1CC[C@H](CC1)O)C(=O)C
Calculated Properties
JChem
Acid pKa
15.177968
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.3940612
LogD (pH = 7.4)
-0.39406028
Log P
-0.39406025
Molar Refractivity
42.0463
Polarizability
16.582787
Polar Surface Area
49.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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