Molecule

ID:90389

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO
Molecular Mass
185.22184
Exact Mass
185.08406398
Charge
0
InChI
InChI=1S/C12H11NO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H,13H2
InChIKey
IGIDZGNPFWGICD-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1N)c1ccccc1
Isomeric Smiles
Oc1c(cc(cc1)c1ccccc1)N
Calculated Properties
JChem
Acid pKa
10.223564
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.4604094
LogD (pH = 7.4)
2.4869227
Log P
2.48798
Molar Refractivity
57.8755
Polarizability
23.103466
Polar Surface Area
46.25
Rotatable Bonds
1
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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