Molecule

ID:23401

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₁N₃O
Molecular Mass
283.36814
Exact Mass
283.16846231
Charge
0
InChI
InChI=1S/C17H21N3O/c1-3-20(4-2)16-11-9-15(10-12-16)19-17(21)13-5-7-14(18)8-6-13/h5-12H,3-4,18H2,1-2H3,(H,19,21)
InChIKey
UAAWXGXBVOORIQ-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cc1)NC(=O)c1ccc(cc1)N)CC
Isomeric Smiles
C(=O)(Nc1ccc(N(CC)CC)cc1)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
13.107711
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.7890186
LogD (pH = 7.4)
3.0532103
Log P
3.0578644
Molar Refractivity
90.2177
Polarizability
32.58894
Polar Surface Area
58.36
Rotatable Bonds
5
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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