Molecule

ID:47864

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂
Molecular Mass
176.25814
Exact Mass
176.13134852
Charge
0
InChI
InChI=1S/C11H16N2/c1-9-8-10(4-5-11(9)12)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3
InChIKey
VRJYOMHGXWVGNA-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1C)N1CCCC1
Isomeric Smiles
N1(c2cc(c(cc2)N)C)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6809205
LogD (pH = 7.4)
2.0287237
Log P
2.1715825
Molar Refractivity
57.7692
Polarizability
21.023767
Polar Surface Area
29.26
Rotatable Bonds
1
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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