Molecule

ID:12586

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂
Molecular Mass
184.23708
Exact Mass
184.10004839
Charge
0
InChI
InChI=1S/C12H12N2/c13-12-3-1-10(2-4-12)9-11-5-7-14-8-6-11/h1-8H,9,13H2
InChIKey
WZXYYQHVDJMIFF-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)Cc1ccncc1
Isomeric Smiles
c1nccc(c1)Cc1ccc(cc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.791625
LogD (pH = 7.4)
2.0147014
Log P
2.0184414
Molar Refractivity
58.3387
Polarizability
21.957691
Polar Surface Area
38.91
Rotatable Bonds
2
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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