Molecule

ID:48433

General Information
Structure
Molecular Formula
C₁₁H₁₉N₃
Molecular Mass
193.28866
Exact Mass
193.15789762
Charge
0
InChI
InChI=1S/C11H19N3/c1-3-4-8-14(2)11-10(9-12)6-5-7-13-11/h5-7H,3-4,8-9,12H2,1-2H3
InChIKey
GBRAFOCKFRIYGK-UHFFFAOYSA-N
Canonic Smiles
CCCCN(c1ncccc1CN)C
Isomeric Smiles
c1(c(CN)cccn1)N(CCCC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.96026534
LogD (pH = 7.4)
0.55838346
Log P
1.9077423
Molar Refractivity
60.9902
Polarizability
23.15587
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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