Molecule

ID:16456

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂
Molecular Mass
184.23708
Exact Mass
184.10004839
Charge
0
InChI
InChI=1S/C12H12N2/c13-12(10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-9,12H,13H2
InChIKey
DNIOUOCUBMTIDC-UHFFFAOYSA-N
Canonic Smiles
NC(c1ccncc1)c1ccccc1
Isomeric Smiles
c1(C(c2ccncc2)N)ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1942154
LogD (pH = 7.4)
0.22400853
Log P
1.6655821
Molar Refractivity
56.6573
Polarizability
22.436573
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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