Molecule

ID:29142

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₂
Molecular Mass
245.31686
Exact Mass
245.14157885
Charge
0
InChI
InChI=1S/C15H19NO2/c1-12-5-6-14(10-13(12)2)18-9-7-16-11-15-4-3-8-17-15/h3-6,8,10,16H,7,9,11H2,1-2H3
InChIKey
OCBQIYDQVAWAQU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1C)OCCNCc1ccco1
Isomeric Smiles
c1(c(ccc(c1)OCCNCc1occc1)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8325904
LogD (pH = 7.4)
2.5653906
Log P
3.2627337
Molar Refractivity
72.3315
Polarizability
28.043207
Polar Surface Area
34.4
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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