Molecule

ID:16514

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂
Molecular Mass
186.25296
Exact Mass
186.11569846
Charge
0
InChI
InChI=1S/C12H14N2/c1-8-3-2-4-9-10-7-13-6-5-11(10)14-12(8)9/h2-4,13-14H,5-7H2,1H3
InChIKey
SEIGTDMBJJWKGU-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc2c1[nH]c1c2CNCC1
Isomeric Smiles
c12c3c([nH]c1c(ccc2)C)CCNC3
Calculated Properties
JChem
Acid pKa
16.250404
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-1.2968951
LogD (pH = 7.4)
-0.1962619
Log P
1.8749661
Molar Refractivity
58.7312
Polarizability
23.627874
Polar Surface Area
27.82
Rotatable Bonds
0
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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