Molecule

ID:12807

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₆N₂O₂
Molecular Mass
292.33184
Exact Mass
292.12117776
Charge
0
InChI
InChI=1S/C18H16N2O2/c21-18(22)12-4-5-16-15(10-12)13-2-1-3-14(13)17(20-16)11-6-8-19-9-7-11/h1-2,4-10,13-14,17,20H,3H2,(H,21,22)
InChIKey
KRECIDINTYZSHC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)C1C=CCC1C(N2)c1ccncc1
Isomeric Smiles
c1nccc(c1)C1Nc2c(C3C1CC=C3)cc(cc2)C(=O)O
Calculated Properties
JChem
Acid pKa
4.5165615
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.4897985
LogD (pH = 7.4)
-0.18631619
Log P
1.7211881
Molar Refractivity
86.4801
Polarizability
31.827255
Polar Surface Area
62.22
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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