Molecule

ID:17109

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c1-9-4-2-6-11(12-9)13-7-3-5-10(13)8-14/h2-8H,1H3
InChIKey
ROBHGXMQCULBOT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccn1c1cccc(n1)C
Isomeric Smiles
n1(c2nc(ccc2)C)c(ccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4696444
LogD (pH = 7.4)
1.5575548
Log P
1.5588
Molar Refractivity
65.02
Polarizability
20.399725
Polar Surface Area
34.89
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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