Molecule

ID:64094

General Information
Structure
MolImage
Molecular Formula
C₂₃H₂₀N₂O
Molecular Mass
340.4177
Exact Mass
340.15756327
Charge
0
InChI
InChI=1S/C23H20N2O/c26-17-22-16-25(18-24-22)23(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-16,18,26H,17H2
InChIKey
DVQYFYUODSFBFS-UHFFFAOYSA-N
Canonic Smiles
OCc1ncn(c1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Isomeric Smiles
n1(C(c2ccccc2)(c2ccccc2)c2ccccc2)cnc(c1)CO
Calculated Properties
JChem
Acid pKa
14.221325
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.2134666
LogD (pH = 7.4)
4.542403
Log P
4.549529
Molar Refractivity
105.2534
Polarizability
40.18215
Polar Surface Area
38.05
Rotatable Bonds
5
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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