Molecule

ID:15819

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₇N₃O
Molecular Mass
289.41578
Exact Mass
289.2154125
Charge
0
InChI
InChI=1S/C17H27N3O/c1-13(2)10-14-5-7-15(8-6-14)11-20-9-3-4-16(12-20)17(21)19-18/h5-8,13,16H,3-4,9-12,18H2,1-2H3,(H,19,21)
InChIKey
ZHCIOIKAMQXVEB-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1CCCN(C1)Cc1ccc(cc1)CC(C)C
Isomeric Smiles
C1CC(CN(C1)Cc1ccc(cc1)CC(C)C)C(=O)NN
Calculated Properties
JChem
Acid pKa
12.965961
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.57436156
LogD (pH = 7.4)
0.89399236
Log P
2.7298203
Molar Refractivity
87.9267
Polarizability
33.948242
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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