Molecule

ID:29131

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₂
Molecular Mass
299.4073
Exact Mass
299.18852905
Charge
0
InChI
InChI=1S/C19H25NO2/c1-15(2)11-12-22-17-8-6-7-16(13-17)14-20-18-9-4-5-10-19(18)21-3/h4-10,13,15,20H,11-12,14H2,1-3H3
InChIKey
MRLVPRUXQFFPOS-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1NCc1cccc(c1)OCCC(C)C
Isomeric Smiles
N(c1c(OC)cccc1)Cc1cc(OCCC(C)C)ccc1
Calculated Properties
JChem
Acid pKa
19.042606
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.4414973
LogD (pH = 7.4)
4.4657545
Log P
4.4660726
Molar Refractivity
92.213
Polarizability
35.326633
Polar Surface Area
30.49
Rotatable Bonds
8
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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