Molecule

ID:29184

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO₂
Molecular Mass
299.4073
Exact Mass
299.18852905
Charge
0
InChI
InChI=1S/C19H25NO2/c1-4-21-11-12-22-18-10-6-9-17(13-18)14-20-19-15(2)7-5-8-16(19)3/h5-10,13,20H,4,11-12,14H2,1-3H3
InChIKey
RYZYUQVKGSBLPX-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1cccc(c1)CNc1c(C)cccc1C
Isomeric Smiles
N(c1c(cccc1C)C)Cc1cc(OCCOCC)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.340901
LogD (pH = 7.4)
4.3493915
Log P
4.349501
Molar Refractivity
93.2021
Polarizability
35.184013
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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