Molecule

ID:120580

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁N₃O
Molecular Mass
295.37884
Exact Mass
295.16846231
Charge
0
InChI
InChI=1S/C18H21N3O/c1-14-4-2-3-5-17(14)18(22)21-12-10-20(11-13-21)16-8-6-15(19)7-9-16/h2-9H,10-13,19H2,1H3
InChIKey
JFJKNOYXQUSGIB-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCN(CC1)C(=O)c1ccccc1C
Isomeric Smiles
C(=O)(N1CCN(c2ccc(N)cc2)CC1)c1c(C)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1852963
LogD (pH = 7.4)
2.681857
Log P
2.6939735
Molar Refractivity
91.22
Polarizability
33.439503
Polar Surface Area
49.57
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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