Molecule

ID:120516

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O₂
Molecular Mass
254.28386
Exact Mass
254.1055277
Charge
0
InChI
InChI=1S/C15H14N2O2/c1-2-9-3-6-14-12(7-9)17-15(19-14)11-8-10(16)4-5-13(11)18/h3-8,18H,2,16H2,1H3
InChIKey
LXXCOQFLSNNADZ-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc2c(c1)nc(o2)c1cc(N)ccc1O
Isomeric Smiles
c1(nc2c(o1)ccc(c2)CC)c1c(ccc(c1)N)O
Calculated Properties
JChem
Acid pKa
8.861635
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.1310577
LogD (pH = 7.4)
3.1546
Log P
3.1701345
Molar Refractivity
84.1482
Polarizability
29.478004
Polar Surface Area
72.28
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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