Molecule

ID:12918

General Information
Structure
Molecular Formula
C₁₅H₁₄N₂O₂
Molecular Mass
254.28386
Exact Mass
254.1055277
Charge
0
InChI
InChI=1S/C15H14N2O2/c1-8-5-9(2)14-12(6-8)17-15(19-14)11-7-10(16)3-4-13(11)18/h3-7,18H,16H2,1-2H3
InChIKey
SFNKCCNSFCFLKT-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)c2c(c1)nc(o2)c1cc(N)ccc1O
Isomeric Smiles
c1(c(cc(cc1)N)c1oc2c(n1)cc(cc2C)C)O
Calculated Properties
JChem
Acid pKa
8.891857
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.193592
LogD (pH = 7.4)
3.224297
Log P
3.2389872
Molar Refractivity
84.5884
Polarizability
29.39731
Polar Surface Area
72.28
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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