Molecule

ID:110457

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO
Molecular Mass
185.22184
Exact Mass
185.08406398
Charge
0
InChI
InChI=1S/C12H11NO/c14-12-8-6-11(7-9-12)13-10-4-2-1-3-5-10/h1-9,13-14H
InChIKey
JTTMYKSFKOOQLP-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)Nc1ccccc1
Isomeric Smiles
Oc1ccc(Nc2ccccc2)cc1
Calculated Properties
JChem
Acid pKa
9.974951
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.1093879
LogD (pH = 7.4)
3.1084552
Log P
3.1096063
Molar Refractivity
56.5251
Polarizability
21.68569
Polar Surface Area
32.26
Rotatable Bonds
2
Lipinski's Rule of Five
true
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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