Molecule

ID:73577

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂
Molecular Mass
208.25848
Exact Mass
208.10004839
Charge
0
InChI
InChI=1S/C14H12N2/c15-12-6-3-5-10(8-12)14-9-11-4-1-2-7-13(11)16-14/h1-9,16H,15H2
InChIKey
KMPALQUHKFNPAB-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)c1cc2c([nH]1)cccc2
Isomeric Smiles
[nH]1c(cc2ccccc12)c1cccc(c1)N
Calculated Properties
JChem
Acid pKa
15.078877
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
2.7903717
LogD (pH = 7.4)
2.8100514
Log P
2.8103085
Molar Refractivity
66.8586
Polarizability
27.86102
Polar Surface Area
41.81
Rotatable Bonds
1
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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