Molecule

ID:48561

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃
Molecular Mass
191.27278
Exact Mass
191.14224756
Charge
0
InChI
InChI=1S/C11H17N3/c12-8-10-4-5-11(13-9-10)14-6-2-1-3-7-14/h4-5,9H,1-3,6-8,12H2
InChIKey
MZUKRLLNZGCLNN-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(nc1)N1CCCCC1
Isomeric Smiles
c1(N2CCCCC2)ncc(cc1)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5653553
LogD (pH = 7.4)
-0.43008018
Log P
1.4342093
Molar Refractivity
59.2586
Polarizability
22.419348
Polar Surface Area
42.15
Rotatable Bonds
2
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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