Molecule

ID:61790

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉NO
Molecular Mass
277.36026
Exact Mass
277.14666423
Charge
0
InChI
InChI=1S/C19H19NO/c21-17-11-12-19(17)13-20(14-19)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,18H,11-14H2
InChIKey
OOOVSAUNKBGABS-UHFFFAOYSA-N
Canonic Smiles
O=C1CCC21CN(C2)C(c1ccccc1)c1ccccc1
Isomeric Smiles
C1N(CC21C(=O)CC2)C(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
18.148287
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7396523
LogD (pH = 7.4)
3.4298568
Log P
3.8725522
Molar Refractivity
84.0312
Polarizability
32.991497
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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