Molecule

ID:29463

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₂
Molecular Mass
299.4073
Exact Mass
299.18852905
Charge
0
InChI
InChI=1S/C19H25NO2/c1-4-12-21-18-10-7-9-17(13-18)20-14-16(3)22-19-11-6-5-8-15(19)2/h5-11,13,16,20H,4,12,14H2,1-3H3
InChIKey
PEWZKAGQORRTQP-UHFFFAOYSA-N
Canonic Smiles
CCCOc1cccc(c1)NCC(Oc1ccccc1C)C
Isomeric Smiles
c1(OC(CNc2cc(OCCC)ccc2)C)c(C)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.734445
LogD (pH = 7.4)
4.7416368
Log P
4.7417293
Molar Refractivity
91.9998
Polarizability
35.25199
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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