Molecule

ID:125735

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂
Molecular Mass
186.25296
Exact Mass
186.11569846
Charge
0
InChI
InChI=1S/C12H14N2/c1-3-10-7-11(9-13-8-10)12-5-4-6-14(12)2/h1,7-9,12H,4-6H2,2H3
InChIKey
NUPUDYKEEJNZRG-UHFFFAOYSA-N
Canonic Smiles
C#Cc1cncc(c1)C1CCCN1C
Isomeric Smiles
c1ncc(C#C)cc1C1CCCN1C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.527755
LogD (pH = 7.4)
0.22999732
Log P
1.31337
Molar Refractivity
54.8273
Polarizability
22.026854
Polar Surface Area
16.13
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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