Molecule

ID:41493

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉N₃O
Molecular Mass
281.35226
Exact Mass
281.15281224
Charge
0
InChI
InChI=1S/C17H19N3O/c21-14-16-6-7-17(18-12-16)20-10-8-19(9-11-20)13-15-4-2-1-3-5-15/h1-7,12,14H,8-11,13H2
InChIKey
MEZSFGZCUVIHDO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(nc1)N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(c2ncc(C=O)cc2)CCN(Cc2ccccc2)CC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.2136261
LogD (pH = 7.4)
2.5937507
Log P
2.7421699
Molar Refractivity
85.8899
Polarizability
32.069042
Polar Surface Area
36.44
Rotatable Bonds
4
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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