Molecule

ID:105487

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₄N₂O₂
Molecular Mass
266.29456
Exact Mass
266.1055277
Charge
0
InChI
InChI=1S/C16H14N2O2/c17-9-12-8-11-7-10-3-1-5-18-6-2-4-13(14(10)18)15(11)20-16(12)19/h7-8H,1-6H2
InChIKey
LGDDFMCJIHJNMK-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc2cc3CCCN4c3c(c2oc1=O)CCC4
Isomeric Smiles
O=c1oc2c3CCCN4CCCc(cc2cc1C#N)c34
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.6678073
LogD (pH = 7.4)
2.672121
Log P
2.6721764
Molar Refractivity
76.852
Polarizability
27.960884
Polar Surface Area
53.33
Rotatable Bonds
0
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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