Molecule

ID:17640

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁N₃O₂
Molecular Mass
275.34614
Exact Mass
275.16337693
Charge
0
InChI
InChI=1S/C15H21N3O2/c16-12-3-4-14(17-7-9-20-10-8-17)13(11-12)15(19)18-5-1-2-6-18/h3-4,11H,1-2,5-10,16H2
InChIKey
WATNYTVECCSKOQ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(=O)N1CCCC1)N1CCOCC1
Isomeric Smiles
c1(c(C(=O)N2CCCC2)cc(cc1)N)N1CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.664881
LogD (pH = 7.4)
0.7366559
Log P
0.73765314
Molar Refractivity
80.6743
Polarizability
29.415619
Polar Surface Area
58.8
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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