Molecule

ID:51748

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO
Molecular Mass
225.2857
Exact Mass
225.11536411
Charge
0
InChI
InChI=1S/C15H15NO/c1-16(2)10-9-15(17)14-8-7-12-5-3-4-6-13(12)11-14/h3-11H,1-2H3/b10-9+
InChIKey
IUVYDBZSZDZCMG-MDZDMXLPSA-N
Canonic Smiles
CN(/C=C/C(=O)c1ccc2c(c1)cccc2)C
Isomeric Smiles
C(=C\N(C)C)/C(=O)c1cc2c(cc1)cccc2
Calculated Properties
JChem
Acid pKa
17.32854
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1486506
LogD (pH = 7.4)
2.84229
Log P
2.864698
Molar Refractivity
71.2632
Polarizability
28.08319
Polar Surface Area
20.31
Rotatable Bonds
3
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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