Molecule

ID:63728

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇NO₂
Molecular Mass
219.27958
Exact Mass
219.12592879
Charge
0
InChI
InChI=1S/C13H17NO2/c1-14-8-6-11(7-9-14)10-2-4-12(5-3-10)13(15)16/h2-5,11H,6-9H2,1H3,(H,15,16)
InChIKey
NOFWSNMLTCIWPD-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)c1ccc(cc1)C(=O)O
Isomeric Smiles
OC(=O)c1ccc(C2CCN(C)CC2)cc1
Calculated Properties
JChem
Acid pKa
4.001076
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.6205519
LogD (pH = 7.4)
-0.6157178
Log P
-0.6121337
Molar Refractivity
64.0299
Polarizability
24.417372
Polar Surface Area
40.54
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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