Molecule

ID:40137

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂
Molecular Mass
234.29576
Exact Mass
234.11569846
Charge
0
InChI
InChI=1S/C16H14N2/c1-3-7-13(8-4-1)16(15-11-12-17-18-15)14-9-5-2-6-10-14/h1-12,16H,(H,17,18)
InChIKey
MQENKFASEBTSNQ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)C(c1[nH]ncc1)c1ccccc1
Isomeric Smiles
c1([nH]ncc1)C(c1ccccc1)c1ccccc1
Calculated Properties
JChem
Acid pKa
14.016483
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6318853
LogD (pH = 7.4)
3.6320915
Log P
3.6320944
Molar Refractivity
74.0807
Polarizability
28.135918
Polar Surface Area
28.68
Rotatable Bonds
3
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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