Molecule

ID:60140

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄N₂
Molecular Mass
246.30646
Exact Mass
246.11569846
Charge
0
InChI
InChI=1S/C17H14N2/c1-3-7-16-14(5-1)12(10-18-16)9-13-11-19-17-8-4-2-6-15(13)17/h1-8,10-11,18-19H,9H2
InChIKey
VFTRKSBEFQDZKX-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)c(c[nH]2)Cc1c[nH]c2c1cccc2
Isomeric Smiles
c1c(c2c([nH]1)cccc2)Cc1c2ccccc2[nH]c1
Calculated Properties
JChem
LogD (pH = 7.4)
4.26
LogD (pH = 5.5)
4.26
Log P
4.26
Rotatable Bonds
2
H Donor
2
H Acceptors
0
Lipinski's Rule of Five
true
Acid pKa
16.52
Polar Surface Area
31.58
Polarizability
27.58
Molar Refractivity
77.97
LOG S
-4.79
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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