Molecule

ID:2056

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉N₂+
Molecular Mass
251.34616
Exact Mass
251.15482362
Charge
1
InChI
InChI=1S/C17H19N2/c1-10-6-14-12(3)13(4)15-7-11(2)9-19(5)17(15)16(14)18-8-10/h6-9H,1-5H3/q+1
InChIKey
FQTUZNACZKILMC-UHFFFAOYSA-N
Canonic Smiles
Cc1cnc2c(c1)c(C)c(c1c2[n+](C)cc(c1)C)C
Isomeric Smiles
Cc1cnc2c(c1)c(C)c(C)c1c2[n+](C)cc(C)c1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.03801005
LogD (pH = 7.4)
0.042367257
Log P
0.04242312
Molar Refractivity
80.4703
Polarizability
32.830975
Polar Surface Area
16.77
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-1.56
LOG S
-6.14
Solubility (Water)
2.05e-04 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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