Molecule

ID:18268

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₁N₃O₂
Molecular Mass
275.34614
Exact Mass
275.16337693
Charge
0
InChI
InChI=1S/C15H21N3O2/c1-17-13-6-5-11(8-14(13)18(2)15(17)19)9-16-10-12-4-3-7-20-12/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3
InChIKey
JKZACAYIDAUPLN-UHFFFAOYSA-N
Canonic Smiles
Cn1c(=O)n(c2c1cc(CNCC1CCCO1)cc2)C
Isomeric Smiles
c1(=O)n(c2c(n1C)ccc(c2)CNCC1OCCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.8575073
LogD (pH = 7.4)
-0.44064307
Log P
1.212346
Molar Refractivity
77.7293
Polarizability
29.977463
Polar Surface Area
44.81
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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