Molecule

ID:29134

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₂
Molecular Mass
299.4073
Exact Mass
299.18852905
Charge
0
InChI
InChI=1S/C19H25NO2/c1-4-16(22-17-10-8-9-15(3)13-17)14-20-18-11-6-7-12-19(18)21-5-2/h6-13,16,20H,4-5,14H2,1-3H3
InChIKey
OXMVRHDNSHZFBT-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccccc1NCC(Oc1cccc(c1)C)CC
Isomeric Smiles
N(c1c(OCC)cccc1)CC(Oc1cc(ccc1)C)CC
Calculated Properties
JChem
Acid pKa
18.992258
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.6966295
LogD (pH = 7.4)
4.741131
Log P
4.7417293
Molar Refractivity
91.9998
Polarizability
35.252125
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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