Molecule

ID:129094

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₁NO
Molecular Mass
291.38684
Exact Mass
291.1623143
Charge
0
InChI
InChI=1S/C20H21NO/c1-21-14-19(20(22)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-22H,14H2,1H3/t19-,20-/m1/s1
InChIKey
RSZGIFQDUIROGN-WOJBJXKFSA-N
Canonic Smiles
CNC[C@@H]([C@@H](c1ccccc1)O)c1ccc2c(c1)cccc2
Isomeric Smiles
CNC[C@H](c1cc2ccccc2cc1)[C@@H](c1ccccc1)O
Calculated Properties
JChem
Acid pKa
14.076746
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.36526954
LogD (pH = 7.4)
1.2913253
Log P
3.5638237
Molar Refractivity
91.0955
Polarizability
37.010223
Polar Surface Area
32.26
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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