Molecule

ID:15827

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁N₃
Molecular Mass
219.32594
Exact Mass
219.17354769
Charge
0
InChI
InChI=1S/C13H21N3/c1-16-8-4-13(5-9-16)11-15-10-12-2-6-14-7-3-12/h2-3,6-7,13,15H,4-5,8-11H2,1H3
InChIKey
SANIFFZOCWUKQF-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)CNCc1ccncc1
Isomeric Smiles
C1(CCN(CC1)C)CNCc1ccncc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.745844
LogD (pH = 7.4)
-3.4750915
Log P
0.8013291
Molar Refractivity
67.4182
Polarizability
26.508976
Polar Surface Area
28.16
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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