Molecule

ID:47763

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂
Molecular Mass
176.25814
Exact Mass
176.13134852
Charge
0
InChI
InChI=1S/C11H16N2/c12-10-4-6-11(7-5-10)13-8-2-1-3-9-13/h4-7H,1-3,8-9,12H2
InChIKey
TVOSOIXYPHKEAR-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCCCC1
Isomeric Smiles
N1(c2ccc(N)cc2)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.36075887
LogD (pH = 7.4)
1.8664749
Log P
2.1027298
Molar Refractivity
57.329
Polarizability
21.103355
Polar Surface Area
29.26
Rotatable Bonds
1
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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