Molecule

ID:28698

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₂
Molecular Mass
299.4073
Exact Mass
299.18852905
Charge
0
InChI
InChI=1S/C19H25NO2/c1-14(2)22-19-8-6-5-7-18(19)20-9-10-21-17-12-15(3)11-16(4)13-17/h5-8,11-14,20H,9-10H2,1-4H3
InChIKey
INRJNPLOABUETK-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccccc1NCCOc1cc(C)cc(c1)C)C
Isomeric Smiles
c1(OC(C)C)c(NCCOc2cc(cc(c2)C)C)cccc1
Calculated Properties
JChem
Acid pKa
19.195925
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.6938634
LogD (pH = 7.4)
4.7321177
Log P
4.732628
Molar Refractivity
92.517
Polarizability
35.172985
Polar Surface Area
30.49
Rotatable Bonds
7
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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