Molecule

ID:18775

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂
Molecular Mass
176.25814
Exact Mass
176.13134852
Charge
0
InChI
InChI=1S/C11H16N2/c12-11-6-2-1-5-10(11)9-13-7-3-4-8-13/h1-2,5-6H,3-4,7-9,12H2
InChIKey
GWPIHNDIYNLVOT-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1CN1CCCC1
Isomeric Smiles
c1(CN2CCCC2)c(N)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8686175
LogD (pH = 7.4)
-0.51480925
Log P
1.4915141
Molar Refractivity
56.8421
Polarizability
21.502317
Polar Surface Area
29.26
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
References
Bioactivity
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