Molecule

ID:90332

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂
Molecular Mass
208.25848
Exact Mass
208.10004839
Charge
0
InChI
InChI=1S/C14H12N2/c1-9-3-5-11-7-8-12-6-4-10(2)16-14(12)13(11)15-9/h3-8H,1-2H3
InChIKey
IYRGXJIJGHOCFS-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(n1)c1nc(C)ccc1cc2
Isomeric Smiles
n1c(ccc2ccc3c(c12)nc(cc3)C)C
Calculated Properties
JChem
LogD (pH = 7.4)
2.55
LogD (pH = 5.5)
2.28
Log P
2.55
Rotatable Bonds
0
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
5.45
Polar Surface Area
25.78
Polarizability
23.77
Molar Refractivity
63.08
LOG S
-2.96
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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