Molecule

ID:86181

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO
Molecular Mass
185.22184
Exact Mass
185.08406398
Charge
0
InChI
InChI=1S/C12H11NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h1-9,12,14H
InChIKey
MYKGGGPMKINROD-UHFFFAOYSA-N
Canonic Smiles
OC(c1ccncc1)c1ccccc1
Isomeric Smiles
n1ccc(cc1)C(c1ccccc1)O
Calculated Properties
JChem
Acid pKa
13.591724
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6712441
LogD (pH = 7.4)
1.7709868
Log P
1.7724638
Molar Refractivity
54.9998
Polarizability
21.488039
Polar Surface Area
33.12
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
Molecule Details
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References
Bioactivity
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