Molecule

ID:44525

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N₃O₂
Molecular Mass
249.30886
Exact Mass
249.14772686
Charge
0
InChI
InChI=1S/C13H19N3O2/c1-15-5-7-16(8-6-15)12-4-3-10(14)9-11(12)13(17)18-2/h3-4,9H,5-8,14H2,1-2H3
InChIKey
TYZKUBXTEGKYTN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(N)ccc1N1CCN(CC1)C
Isomeric Smiles
c1(c(N2CCN(CC2)C)ccc(c1)N)C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.0621951
LogD (pH = 7.4)
0.65313584
Log P
1.1029602
Molar Refractivity
73.2624
Polarizability
27.034838
Polar Surface Area
58.8
Rotatable Bonds
3
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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