Molecule

ID:17697

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO
Molecular Mass
223.26982
Exact Mass
223.09971404
Charge
0
InChI
InChI=1S/C15H13NO/c16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)17-14/h1-10,15H,16H2
InChIKey
HJJRPYFDKVKGRQ-UHFFFAOYSA-N
Canonic Smiles
NC(c1cc2c(o1)cccc2)c1ccccc1
Isomeric Smiles
c1(C(c2ccccc2)N)cc2c(o1)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.89669573
LogD (pH = 7.4)
2.5435252
Log P
2.962379
Molar Refractivity
67.5328
Polarizability
27.765566
Polar Surface Area
39.16
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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