Molecule

ID:29300

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₂
Molecular Mass
299.4073
Exact Mass
299.18852905
Charge
0
InChI
InChI=1S/C19H25NO2/c1-4-21-19-7-5-6-16(12-19)13-20-17-8-10-18(11-9-17)22-14-15(2)3/h5-12,15,20H,4,13-14H2,1-3H3
InChIKey
OWVHOPNEWAURHX-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)CNc1ccc(cc1)OCC(C)C
Isomeric Smiles
N(c1ccc(OCC(C)C)cc1)Cc1cc(OCC)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.350806
LogD (pH = 7.4)
4.4547644
Log P
4.4562654
Molar Refractivity
92.2836
Polarizability
35.324257
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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