Molecule

ID:60017

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N₃O
Molecular Mass
233.30946
Exact Mass
233.15281224
Charge
0
InChI
InChI=1S/C13H19N3O/c1-2-15-7-9-16(10-8-15)13(17)11-5-3-4-6-12(11)14/h3-6H,2,7-10,14H2,1H3
InChIKey
MZJAZOQCXMKMTF-UHFFFAOYSA-N
Canonic Smiles
CCN1CCN(CC1)C(=O)c1ccccc1N
Isomeric Smiles
C(=O)(c1c(N)cccc1)N1CCN(CC1)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.3475473
LogD (pH = 7.4)
1.1063948
Log P
1.2962399
Molar Refractivity
70.4289
Polarizability
26.146574
Polar Surface Area
49.57
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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