Molecule

ID:15961

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO
Molecular Mass
201.2643
Exact Mass
201.11536411
Charge
0
InChI
InChI=1S/C13H15NO/c1-10-4-5-11(2)14(10)12-6-8-13(15-3)9-7-12/h4-9H,1-3H3
InChIKey
ZJXMRHDTQFPICU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)n1c(C)ccc1C
Isomeric Smiles
n1(c(ccc1C)C)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3381
LogD (pH = 7.4)
2.3381
Log P
2.3381
Molar Refractivity
72.573
Polarizability
24.392782
Polar Surface Area
14.16
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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