Molecule
ID:122236
General Information
Molecular Formula
C₁₈H₁₉N₃O
Molecular Mass
293.36296
Exact Mass
293.15281224
Charge
0
InChI
InChI=1S/C18H19N3O/c1-13-18(19)14(2)21(20-13)12-15-7-6-10-17(11-15)22-16-8-4-3-5-9-16/h3-11H,12,19H2,1-2H3
InChIKey
NFEOSFXFCODZBI-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1N)C)Cc1cccc(c1)Oc1ccccc1
Isomeric Smiles
n1(nc(c(c1C)N)C)Cc1cc(Oc2ccccc2)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.126955
LogD (pH = 7.4)
3.12786
Log P
3.1278718
Molar Refractivity
100.2564
Polarizability
33.48757
Polar Surface Area
53.07
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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