Molecule

ID:36022

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO
Molecular Mass
201.2643
Exact Mass
201.11536411
Charge
0
InChI
InChI=1S/C13H15NO/c1-4-14-10(3)12(8-15)11-6-5-9(2)7-13(11)14/h5-8H,4H2,1-3H3
InChIKey
SYGMXNSYWXCOMZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)n(c2c1ccc(c2)C)CC
Isomeric Smiles
c1c(cc2n(c(c(c2c1)C=O)C)CC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.077977
LogD (pH = 7.4)
3.077977
Log P
3.077977
Molar Refractivity
63.5647
Polarizability
24.61129
Polar Surface Area
22.0
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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