Molecule

ID:13565

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉N₃
Molecular Mass
193.28866
Exact Mass
193.15789762
Charge
0
InChI
InChI=1S/C11H19N3/c1-14(2)9-5-7-12-10-11-6-3-4-8-13-11/h3-4,6,8,12H,5,7,9-10H2,1-2H3
InChIKey
PHNGOQUFEMIIAA-UHFFFAOYSA-N
Canonic Smiles
CN(CCCNCc1ccccn1)C
Isomeric Smiles
C(CCNCc1ncccc1)N(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.170492
LogD (pH = 7.4)
-1.9150428
Log P
0.47399837
Molar Refractivity
59.5114
Polarizability
23.556833
Polar Surface Area
28.16
Rotatable Bonds
6
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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