Molecule
ID:57373
General Information
Molecular Formula
C₁₃H₁₁NO
Molecular Mass
197.23254
Exact Mass
197.08406398
Charge
0
InChI
InChI=1S/C13H11NO/c1-15-9-6-7-13-11(8-9)10-4-2-3-5-12(10)14-13/h2-8,14H,1H3
InChIKey
BISIQSCKDZYPLR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)c1ccccc1[nH]2
Isomeric Smiles
c1ccc2c(c1)c1c([nH]2)ccc(c1)OC
Calculated Properties
JChem
Acid pKa
15.182454
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9332144
LogD (pH = 7.4)
2.9332144
Log P
2.9332144
Molar Refractivity
59.9354
Polarizability
25.72761
Polar Surface Area
25.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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