Molecule

ID:28989

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO
Molecular Mass
269.38132
Exact Mass
269.17796436
Charge
0
InChI
InChI=1S/C18H23NO/c1-3-17(20-18-11-7-8-15(2)12-18)14-19-13-16-9-5-4-6-10-16/h4-12,17,19H,3,13-14H2,1-2H3
InChIKey
RULGRYLJYCLOBQ-UHFFFAOYSA-N
Canonic Smiles
CCC(Oc1cccc(c1)C)CNCc1ccccc1
Isomeric Smiles
c1(OC(CNCc2ccccc2)CC)cc(ccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4670956
LogD (pH = 7.4)
2.6198459
Log P
4.628163
Molar Refractivity
83.8422
Polarizability
33.16442
Polar Surface Area
21.26
Rotatable Bonds
7
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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