Molecule

ID:34666

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO
Molecular Mass
201.2643
Exact Mass
201.11536411
Charge
0
InChI
InChI=1S/C13H15NO/c1-15-12-6-4-11(5-7-12)13(10-14)8-2-3-9-13/h4-7H,2-3,8-9H2,1H3
InChIKey
DOZAMVFROCVJLO-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1(CCCC1)C#N
Isomeric Smiles
N#CC1(c2ccc(cc2)OC)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0356836
LogD (pH = 7.4)
3.0356836
Log P
3.0356836
Molar Refractivity
59.2834
Polarizability
23.006582
Polar Surface Area
33.02
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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