Molecule

ID:31339

General Information
Structure
Molecular Formula
C₁₁H₁₆N₂
Molecular Mass
176.25814
Exact Mass
176.13134852
Charge
0
InChI
InChI=1S/C11H16N2/c12-9-10-5-1-2-6-11(10)13-7-3-4-8-13/h1-2,5-6H,3-4,7-9,12H2
InChIKey
PLXNYYYHSZRVJH-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1N1CCCC1
Isomeric Smiles
N1(c2c(CN)cccc2)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.3135703
LogD (pH = 7.4)
-0.051481664
Log P
1.6128556
Molar Refractivity
56.501
Polarizability
21.500532
Polar Surface Area
29.26
Rotatable Bonds
2
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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