Molecule

ID:29144

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO
Molecular Mass
269.38132
Exact Mass
269.17796436
Charge
0
InChI
InChI=1S/C18H23NO/c1-4-16-8-10-18(11-9-16)20-15(3)13-19-17-7-5-6-14(2)12-17/h5-12,15,19H,4,13H2,1-3H3
InChIKey
IQOIMRCOURAPJY-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)OC(CNc1cccc(c1)C)C
Isomeric Smiles
N(c1cc(ccc1)C)CC(Oc1ccc(cc1)CC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.952322
LogD (pH = 7.4)
4.9777265
Log P
4.9780602
Molar Refractivity
85.9062
Polarizability
32.682335
Polar Surface Area
21.26
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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