Molecule

ID:21078

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃NO
Molecular Mass
281.39202
Exact Mass
281.17796436
Charge
0
InChI
InChI=1S/C19H23NO/c1-19(2,15-6-4-3-5-7-15)16-8-10-17(11-9-16)21-18-12-13-20-14-18/h3-11,18,20H,12-14H2,1-2H3
InChIKey
RYPLQWRKHHDZAD-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccccc1)(c1ccc(cc1)OC1CNCC1)C
Isomeric Smiles
C(c1ccc(OC2CCNC2)cc1)(c1ccccc1)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8476777
LogD (pH = 7.4)
1.3307164
Log P
4.0782332
Molar Refractivity
97.0675
Polarizability
34.265713
Polar Surface Area
21.26
Rotatable Bonds
4
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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