Molecule

ID:47808

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(12)4-5-11(9)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3
InChIKey
HXGBHCCAZHQXQV-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)N1CCCC1
Isomeric Smiles
c1(N2CCCC2)c(cc(cc1)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6163827
LogD (pH = 7.4)
2.0070605
Log P
2.1715825
Molar Refractivity
57.7692
Polarizability
21.023827
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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