Molecule

ID:63170

General Information
Structure
Molecular Formula
C₁₄H₁₀N₂O
Molecular Mass
222.242
Exact Mass
222.07931295
Charge
0
InChI
InChI=1S/C14H10N2O/c17-13(10-5-2-1-3-6-10)12-9-11-7-4-8-15-14(11)16-12/h1-9H,(H,15,16)
InChIKey
DWCJZCLNLRIZGI-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc2c([nH]1)nccc2)c1ccccc1
Isomeric Smiles
n1cccc2cc(C(=O)c3ccccc3)[nH]c12
Calculated Properties
JChem
Acid pKa
11.95294
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5947673
LogD (pH = 7.4)
2.6010592
Log P
2.6011517
Molar Refractivity
65.3932
Polarizability
25.656445
Polar Surface Area
45.75
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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