Molecule

ID:29129

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₂
Molecular Mass
299.4073
Exact Mass
299.18852905
Charge
0
InChI
InChI=1S/C19H25NO2/c1-3-4-9-14-22-18-12-7-5-10-16(18)15-20-17-11-6-8-13-19(17)21-2/h5-8,10-13,20H,3-4,9,14-15H2,1-2H3
InChIKey
AUGIDGPZPLQOKG-UHFFFAOYSA-N
Canonic Smiles
CCCCCOc1ccccc1CNc1ccccc1OC
Isomeric Smiles
N(Cc1c(OCCCCC)cccc1)c1c(OC)cccc1
Calculated Properties
JChem
Acid pKa
18.850138
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.6035213
LogD (pH = 7.4)
4.623363
Log P
4.6236224
Molar Refractivity
92.2654
Polarizability
35.326847
Polar Surface Area
30.49
Rotatable Bonds
9
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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