Molecule

ID:60727

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₁NO₂
Molecular Mass
307.38624
Exact Mass
307.15722892
Charge
0
InChI
InChI=1S/C20H21NO2/c1-14-13-20(2,3)21-18-10-9-16(12-17(14)18)23-19(22)11-15-7-5-4-6-8-15/h4-10,12-13,21H,11H2,1-3H3
InChIKey
VHFBMAKHNZTQAA-UHFFFAOYSA-N
Canonic Smiles
O=C(Cc1ccccc1)Oc1ccc2c(c1)C(=CC(N2)(C)C)C
Isomeric Smiles
C1(=CC(Nc2c1cc(OC(=O)Cc1ccccc1)cc2)(C)C)C
Calculated Properties
JChem
Acid pKa
19.297663
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.2257404
LogD (pH = 7.4)
4.245062
Log P
4.245314
Molar Refractivity
94.3183
Polarizability
35.656925
Polar Surface Area
38.33
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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