Molecule

ID:15200

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-9-4-6-12(7-5-9)11-3-2-10(8-13)14-11/h2-3,8-9H,4-7H2,1H3
InChIKey
RQILMBASKZCFER-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(o1)N1CCC(CC1)C
Isomeric Smiles
c1(N2CCC(CC2)C)oc(cc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.080715
LogD (pH = 7.4)
2.080715
Log P
2.080715
Molar Refractivity
55.4054
Polarizability
20.560547
Polar Surface Area
33.45
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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