Molecule

ID:21022

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉NO
Molecular Mass
253.33886
Exact Mass
253.14666423
Charge
0
InChI
InChI=1S/C17H19NO/c1-2-4-15(5-3-1)16-8-6-14(7-9-16)13-19-17-10-11-18-12-17/h1-9,17-18H,10-13H2
InChIKey
JOXDMIXQSCAAFY-UHFFFAOYSA-N
Canonic Smiles
C1NCC(C1)OCc1ccc(cc1)c1ccccc1
Isomeric Smiles
c1(c2ccccc2)ccc(COC2CCNC2)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.15411133
LogD (pH = 7.4)
0.22722787
Log P
3.0800464
Molar Refractivity
78.0523
Polarizability
32.09106
Polar Surface Area
21.26
Rotatable Bonds
4
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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