Molecule

ID:13848

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO₂
Molecular Mass
217.2637
Exact Mass
217.11027873
Charge
0
InChI
InChI=1S/C13H15NO2/c1-4-14-11-7-12-10(5-9(11)3)8(2)6-13(15)16-12/h5-7,14H,4H2,1-3H3
InChIKey
QZXAEJGHNXJTSE-UHFFFAOYSA-N
Canonic Smiles
CCNc1cc2oc(=O)cc(c2cc1C)C
Isomeric Smiles
c12c(cc(c(c1)NCC)C)c(cc(=O)o2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.406186
LogD (pH = 7.4)
2.4255097
Log P
2.4257617
Molar Refractivity
65.8142
Polarizability
24.122656
Polar Surface Area
38.33
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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