Molecule

ID:16766

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₉N₃
Molecular Mass
193.28866
Exact Mass
193.15789762
Charge
0
InChI
InChI=1S/C11H19N3/c1-9-7-11(12)14(13-9)8-10-5-3-2-4-6-10/h7,10H,2-6,8,12H2,1H3
InChIKey
SOMBQJZNVNRUNK-UHFFFAOYSA-N
Canonic Smiles
Nc1cc(nn1CC1CCCCC1)C
Isomeric Smiles
n1(c(cc(n1)C)N)CC1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8794034
LogD (pH = 7.4)
1.9067641
Log P
1.9071244
Molar Refractivity
69.2516
Polarizability
22.111774
Polar Surface Area
43.84
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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