Molecule

ID:58767

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO₂
Molecular Mass
201.22124
Exact Mass
201.0789786
Charge
0
InChI
InChI=1S/C12H11NO2/c1-13-7-6-10-8-9(2-4-11(10)13)3-5-12(14)15/h2-8H,1H3,(H,14,15)/b5-3+
InChIKey
IZZVPUQKWOCNSS-HWKANZROSA-N
Canonic Smiles
OC(=O)/C=C/c1ccc2c(c1)ccn2C
Isomeric Smiles
c1cc(cc2c1n(cc2)C)/C=C/C(=O)O
Calculated Properties
JChem
Acid pKa
4.6642313
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5644648
LogD (pH = 7.4)
-0.21328218
Log P
2.4585242
Molar Refractivity
59.0431
Polarizability
23.167948
Polar Surface Area
42.23
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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