Molecule

ID:17786

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂
Molecular Mass
188.26884
Exact Mass
188.13134852
Charge
0
InChI
InChI=1S/C12H16N2/c1-10-9-11-5-2-3-6-12(11)14(10)8-4-7-13/h2-3,5-6,9H,4,7-8,13H2,1H3
InChIKey
SSIWTLDIAFCSBL-UHFFFAOYSA-N
Canonic Smiles
NCCCn1c(C)cc2c1cccc2
Isomeric Smiles
c12n(c(cc1cccc2)C)CCCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2676815
LogD (pH = 7.4)
-0.90773386
Log P
1.7582211
Molar Refractivity
60.0061
Polarizability
24.377779
Polar Surface Area
30.95
Rotatable Bonds
3
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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