Molecule

ID:34895

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉N₃O
Molecular Mass
293.36296
Exact Mass
293.15281224
Charge
0
InChI
InChI=1S/C18H19N3O/c1-12-7-6-8-13(2)18(12)21-17(19)11-15(20-21)14-9-4-5-10-16(14)22-3/h4-11H,19H2,1-3H3
InChIKey
SYTGMQNAUSQPOF-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1c1cc(n(n1)c1c(C)cccc1C)N
Isomeric Smiles
n1(nc(cc1N)c1c(OC)cccc1)c1c(cccc1C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.2209845
LogD (pH = 7.4)
4.221668
Log P
4.2216763
Molar Refractivity
89.6832
Polarizability
35.616505
Polar Surface Area
53.07
Rotatable Bonds
2
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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