Molecule

ID:34683

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂
Molecular Mass
176.25814
Exact Mass
176.13134852
Charge
0
InChI
InChI=1S/C11H16N2/c1-10-3-2-4-11(9-10)13-7-5-12-6-8-13/h2-4,9,12H,5-8H2,1H3
InChIKey
JIWHIRLNKIUYSM-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)N1CCNCC1
Isomeric Smiles
N1(c2cc(ccc2)C)CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9499477
LogD (pH = 7.4)
0.5629269
Log P
2.0587828
Molar Refractivity
56.2832
Polarizability
21.424723
Polar Surface Area
15.27
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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