Molecule

ID:60201

General Information
Structure
Molecular Formula
C₁₁H₁₇NO₂
Molecular Mass
195.25818
Exact Mass
195.12592879
Charge
0
InChI
InChI=1S/C11H17NO2/c12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14/h6-9H,1-5,12H2,(H,13,14)
InChIKey
SOJVRVUWBAQBHZ-UHFFFAOYSA-N
Canonic Smiles
NC1C2CC3CC1CC(C2)(C3)C(=O)O
Isomeric Smiles
C1C2CC3C(C1CC(C2)(C3)C(=O)O)N
Calculated Properties
JChem
Acid pKa
4.3113656
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.2429687
LogD (pH = 7.4)
-1.221046
Log P
-1.2213105
Molar Refractivity
51.5613
Polarizability
20.85204
Polar Surface Area
63.32
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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