Molecule

ID:83287

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉NO₂
Molecular Mass
281.34896
Exact Mass
281.14157885
Charge
0
InChI
InChI=1S/C18H19NO2/c1-19(2)16-9-4-14(5-10-16)6-13-18(20)15-7-11-17(21-3)12-8-15/h4-13H,1-3H3
InChIKey
VYCHTZRFUNDXSN-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)/C=C/c1ccc(cc1)N(C)C
Isomeric Smiles
N(c1ccc(cc1)/C=C/C(=O)c1ccc(cc1)OC)(C)C
Calculated Properties
JChem
Acid pKa
17.5467
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7727046
LogD (pH = 7.4)
3.8397722
Log P
3.840698
Molar Refractivity
87.7688
Polarizability
32.688435
Polar Surface Area
29.54
Rotatable Bonds
5
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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