Molecule

ID:79059

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO
Molecular Mass
237.2964
Exact Mass
237.11536411
Charge
0
InChI
InChI=1S/C16H15NO/c1-13-2-4-15(5-3-13)12-18-16-8-6-14(7-9-16)10-11-17/h2-9H,10,12H2,1H3
InChIKey
HNTNMUACVLPQQK-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccc(cc1)OCc1ccc(cc1)C
Isomeric Smiles
N#CCc1ccc(cc1)OCc1ccc(cc1)C
Calculated Properties
JChem
Acid pKa
14.222433
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7491663
LogD (pH = 7.4)
3.7491663
Log P
3.7491663
Molar Refractivity
72.4619
Polarizability
27.745907
Polar Surface Area
33.02
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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