Molecule

ID:103587

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀N₂
Molecular Mass
218.2533
Exact Mass
218.08439833
Charge
0
InChI
InChI=1S/C15H10N2/c16-17-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-10H
InChIKey
XXDVOJKRZBNPFN-UHFFFAOYSA-N
Canonic Smiles
[N-]=[N+]=Cc1c2ccccc2cc2c1cccc2
Isomeric Smiles
[N-]=[N+]=Cc1c2ccccc2cc2ccccc12
Calculated Properties
JChem
Acid pKa
9.250543
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1563432
LogD (pH = 7.4)
2.1549635
Log P
2.156361
Molar Refractivity
68.2424
Polarizability
28.786692
Polar Surface Area
17.07
Rotatable Bonds
1
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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