Molecule

ID:22354

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂
Molecular Mass
212.29024
Exact Mass
212.13134852
Charge
0
InChI
InChI=1S/C14H16N2/c1-2-4-12-9-13(6-5-11(12)3-1)14-10-15-7-8-16-14/h1-6,9,14-16H,7-8,10H2
InChIKey
DNMNNHMPDTUAFG-UHFFFAOYSA-N
Canonic Smiles
C1CNC(CN1)c1ccc2c(c1)cccc2
Isomeric Smiles
N1C(CNCC1)c1cc2c(cc1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.0855478
LogD (pH = 7.4)
0.38435772
Log P
2.0449102
Molar Refractivity
66.1818
Polarizability
27.677113
Polar Surface Area
24.06
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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