Molecule

ID:29383

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₂
Molecular Mass
299.4073
Exact Mass
299.18852905
Charge
0
InChI
InChI=1S/C19H25NO2/c1-14(2)21-18-9-5-16(6-10-18)13-20-17-7-11-19(12-8-17)22-15(3)4/h5-12,14-15,20H,13H2,1-4H3
InChIKey
OOSBJUPDPDSFFW-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1)NCc1ccc(cc1)OC(C)C)C
Isomeric Smiles
N(c1ccc(OC(C)C)cc1)Cc1ccc(OC(C)C)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.2978673
LogD (pH = 7.4)
4.4004416
Log P
4.4019203
Molar Refractivity
92.1256
Polarizability
35.32392
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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