Molecule

ID:48564

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉N₃
Molecular Mass
193.28866
Exact Mass
193.15789762
Charge
0
InChI
InChI=1S/C11H19N3/c1-3-4-7-14(2)11-6-5-10(8-12)9-13-11/h5-6,9H,3-4,7-8,12H2,1-2H3
InChIKey
RTXOPHDJPSRHTB-UHFFFAOYSA-N
Canonic Smiles
CCCCN(c1ccc(cn1)CN)C
Isomeric Smiles
n1c(N(CCCC)C)ccc(c1)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0949067
LogD (pH = 7.4)
0.04232803
Log P
1.9077423
Molar Refractivity
60.9902
Polarizability
23.15565
Polar Surface Area
42.15
Rotatable Bonds
5
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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