Molecule

ID:29492

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO
Molecular Mass
269.38132
Exact Mass
269.17796436
Charge
0
InChI
InChI=1S/C18H23NO/c1-4-20-18-7-5-6-17(12-18)19-13-15-8-10-16(11-9-15)14(2)3/h5-12,14,19H,4,13H2,1-3H3
InChIKey
NHMDRXZTUGWGAY-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)NCc1ccc(cc1)C(C)C
Isomeric Smiles
c1(ccc(CNc2cc(OCC)ccc2)cc1)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.6106014
LogD (pH = 7.4)
4.6145916
Log P
4.614643
Molar Refractivity
86.267
Polarizability
32.75778
Polar Surface Area
21.26
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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