Molecule

ID:29011

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₃NO
Molecular Mass
269.38132
Exact Mass
269.17796436
Charge
0
InChI
InChI=1S/C18H23NO/c1-14-9-10-18(13-15(14)2)20-12-11-19-16(3)17-7-5-4-6-8-17/h4-10,13,16,19H,11-12H2,1-3H3
InChIKey
GACMUGGVXOTCHG-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)NCCOc1ccc(c(c1)C)C
Isomeric Smiles
c1(c(ccc(c1)OCCNC(c1ccccc1)C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4757531
LogD (pH = 7.4)
2.7001123
Log P
4.619062
Molar Refractivity
84.3594
Polarizability
33.082485
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
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Molecule Details
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References
Bioactivity
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