Molecule

ID:88354

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃NO₂
Molecular Mass
203.23712
Exact Mass
203.09462866
Charge
0
InChI
InChI=1S/C12H13NO2/c1-8(14)11-9(2)15-13-12(11)10-6-4-3-5-7-10/h3-8,14H,1-2H3
InChIKey
DAQOOSLMUWKCQM-UHFFFAOYSA-N
Canonic Smiles
CC(c1c(C)onc1c1ccccc1)O
Isomeric Smiles
n1c(c2ccccc2)c(c(o1)C)C(O)C
Calculated Properties
JChem
Acid pKa
14.275036
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2196503
LogD (pH = 7.4)
2.2196534
Log P
2.2196534
Molar Refractivity
58.6486
Polarizability
23.3307
Polar Surface Area
46.26
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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