Molecule

ID:42715

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NO₃
Molecular Mass
241.24204
Exact Mass
241.07389322
Charge
0
InChI
InChI=1S/C14H11NO3/c1-18-14(17)11-6-4-10(5-7-11)13-12(9-16)3-2-8-15-13/h2-9H,1H3
InChIKey
HIZNWJNOPRGKOC-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)c1ncccc1C=O
Isomeric Smiles
c1(c(C=O)cccn1)c1ccc(C(=O)OC)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5015566
LogD (pH = 7.4)
2.5045896
Log P
2.5046284
Molar Refractivity
67.2746
Polarizability
26.699324
Polar Surface Area
56.26
Rotatable Bonds
4
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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