Molecule

ID:36219

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉NO
Molecular Mass
265.34956
Exact Mass
265.14666423
Charge
0
InChI
InChI=1S/C18H19NO/c1-13(2)15-6-3-14(4-7-15)5-12-18(20)16-8-10-17(19)11-9-16/h3-13H,19H2,1-2H3/b12-5+
InChIKey
RNGDZSGDGWSNCC-LFYBBSHMSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)C(C)C
Isomeric Smiles
C(=C\c1ccc(cc1)C(C)C)/C(=O)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
17.510746
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.304481
LogD (pH = 7.4)
4.306384
Log P
4.3064084
Molar Refractivity
85.7682
Polarizability
31.969328
Polar Surface Area
43.09
Rotatable Bonds
4
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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