Molecule

ID:78759

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂
Molecular Mass
212.29024
Exact Mass
212.13134852
Charge
0
InChI
InChI=1S/C14H16N2/c1-12-6-2-3-8-14(12)16-11-9-13-7-4-5-10-15-13/h2-8,10,16H,9,11H2,1H3
InChIKey
PLLGMAKXWNLGGY-UHFFFAOYSA-N
Canonic Smiles
Cc1ccccc1NCCc1ccccn1
Isomeric Smiles
n1c(cccc1)CCNc1c(cccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.487519
LogD (pH = 7.4)
2.779459
Log P
2.7847307
Molar Refractivity
67.9259
Polarizability
25.574535
Polar Surface Area
24.92
Rotatable Bonds
4
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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