Molecule

ID:29135

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅NO
Molecular Mass
283.4079
Exact Mass
283.19361443
Charge
0
InChI
InChI=1S/C19H25NO/c1-15(2)11-12-21-19-10-5-4-8-17(19)14-20-18-9-6-7-16(3)13-18/h4-10,13,15,20H,11-12,14H2,1-3H3
InChIKey
PDJZCJJQHMRBEB-UHFFFAOYSA-N
Canonic Smiles
CC(CCOc1ccccc1CNc1cccc(c1)C)C
Isomeric Smiles
c1(CNc2cc(ccc2)C)c(OCCC(C)C)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.1255016
LogD (pH = 7.4)
5.1370163
Log P
5.137165
Molar Refractivity
90.791
Polarizability
34.60619
Polar Surface Area
21.26
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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