Molecule

ID:117229

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉N₃O
Molecular Mass
305.37366
Exact Mass
305.15281224
Charge
0
InChI
InChI=1S/C19H19N3O/c23-17-8-4-5-15-9-10-18(20-19(15)17)22-13-11-21(12-14-22)16-6-2-1-3-7-16/h1-10,23H,11-14H2
InChIKey
NLEBIHHGSQJBTM-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc2c1nc(cc2)N1CCN(CC1)c1ccccc1
Isomeric Smiles
n1c(N2CCN(CC2)c2ccccc2)ccc2c1c(O)ccc2
Calculated Properties
JChem
Acid pKa
9.326718
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.693799
LogD (pH = 7.4)
4.238524
Log P
4.2680764
Molar Refractivity
93.2509
Polarizability
36.10325
Polar Surface Area
39.6
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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