Molecule

ID:112402

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉NO
Molecular Mass
265.34956
Exact Mass
265.14666423
Charge
0
InChI
InChI=1S/C18H19NO/c1-14-4-9-16(10-5-14)18(20)13-8-15-6-11-17(12-7-15)19(2)3/h4-13H,1-3H3
InChIKey
WDFJWHWYPOZAQG-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)N(C)C
Isomeric Smiles
CN(C)c1ccc(cc1)/C=C/C(=O)c1ccc(C)cc1
Calculated Properties
JChem
Acid pKa
17.507957
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.4437976
LogD (pH = 7.4)
4.5108647
Log P
4.5117908
Molar Refractivity
86.3468
Polarizability
31.969578
Polar Surface Area
20.31
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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