Molecule

ID:58411

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO
Molecular Mass
185.22184
Exact Mass
185.08406398
Charge
0
InChI
InChI=1S/C12H11NO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H,13H2
InChIKey
LQZZZAFQKXTFKH-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1ccc(cc1)O
Isomeric Smiles
c1cc(ccc1c1ccc(cc1)O)N
Calculated Properties
JChem
LogD (pH = 7.4)
2.49
LogD (pH = 5.5)
2.47
Log P
2.49
Rotatable Bonds
1
H Donor
2
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
10.00
Polar Surface Area
46.25
Polarizability
20.52
Molar Refractivity
57.88
LOG S
-3.24
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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