Molecule

ID:128672

General Information
Structure
MolImage
Molecular Formula
C₂₃H₁₉N₃O
Molecular Mass
353.41646
Exact Mass
353.15281224
Charge
0
InChI
InChI=1S/C23H19N3O/c1-23(2,27)18-10-11-22-21(13-18)25-15-26(22)19-8-5-7-16(12-19)20-9-4-3-6-17(20)14-24/h3-13,15,27H,1-2H3
InChIKey
HLKYSQGBIIIQJN-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1c1cccc(c1)n1cnc2c1ccc(c2)C(O)(C)C
Isomeric Smiles
N#Cc1ccccc1c1cccc(c1)n1cnc2cc(ccc12)C(C)(C)O
Calculated Properties
JChem
Acid pKa
14.459772
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.7521653
LogD (pH = 7.4)
3.9075325
Log P
3.91
Molar Refractivity
116.6928
Polarizability
44.01456
Polar Surface Area
61.84
Rotatable Bonds
3
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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