Molecule

ID:91131

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂
Molecular Mass
184.23708
Exact Mass
184.10004839
Charge
0
InChI
InChI=1S/C12H12N2/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,13H2
InChIKey
NFCPRRWCTNLGSN-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1Nc1ccccc1
Isomeric Smiles
N(c1ccccc1N)c1ccccc1
Calculated Properties
JChem
Acid pKa
19.628706
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.5787385
LogD (pH = 7.4)
2.5841758
Log P
2.5842457
Molar Refractivity
59.2446
Polarizability
22.245983
Polar Surface Area
38.05
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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