Molecule

ID:48579

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃N₃
Molecular Mass
233.35252
Exact Mass
233.18919775
Charge
0
InChI
InChI=1S/C14H23N3/c1-2-17(13-6-4-3-5-7-13)14-9-8-12(10-15)11-16-14/h8-9,11,13H,2-7,10,15H2,1H3
InChIKey
YUCAARAFKJCVRQ-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccc(cn1)CN)C1CCCCC1
Isomeric Smiles
c1(ncc(cc1)CN)N(C1CCCCC1)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.2569856
LogD (pH = 7.4)
0.8766562
Log P
2.7399218
Molar Refractivity
72.8794
Polarizability
27.955242
Polar Surface Area
42.15
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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