Molecule
ID:79287
General Information
Molecular Formula
C₁₃H₁₁NO
Molecular Mass
197.23254
Exact Mass
197.08406398
Charge
0
InChI
InChI=1S/C13H11NO/c15-13-8-6-12(7-9-13)14-10-11-4-2-1-3-5-11/h1-10,15H
InChIKey
BVTLIIQDQAUXOI-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)/N=C/c1ccccc1
Isomeric Smiles
N(=C\c1ccccc1)/c1ccc(cc1)O
Calculated Properties
JChem
Acid pKa
8.7883215
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5418293
LogD (pH = 7.4)
3.5266218
Log P
3.5439415
Molar Refractivity
63.3685
Polarizability
23.089804
Polar Surface Area
32.59
Rotatable Bonds
2
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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