Molecule

ID:41142

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄N₂O₂
Molecular Mass
254.28386
Exact Mass
254.1055277
Charge
0
InChI
InChI=1S/C15H14N2O2/c18-10-15(11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)14(19)17-15/h1-9,16,18H,10H2,(H,17,19)
InChIKey
YNMVIRAYJOOCBK-UHFFFAOYSA-N
Canonic Smiles
OCC1(NC(=O)c2c(N1)cccc2)c1ccccc1
Isomeric Smiles
N1C(Nc2c(C1=O)cccc2)(c1ccccc1)CO
Calculated Properties
JChem
Acid pKa
10.686142
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
2.593369
LogD (pH = 7.4)
2.5931668
Log P
2.5933714
Molar Refractivity
74.008
Polarizability
27.459873
Polar Surface Area
61.36
Rotatable Bonds
2
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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