Molecule

ID:123814

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c1-9-2-3-11(8-14)13(9)10-4-6-12-7-5-10/h2-8H,1H3
InChIKey
LXIMSMUEHXONBW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(n1c1ccncc1)C
Isomeric Smiles
n1(c(ccc1C)C=O)c1ccncc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.3433253
LogD (pH = 7.4)
0.118563324
Log P
0.7041
Molar Refractivity
65.2647
Polarizability
21.073862
Polar Surface Area
34.89
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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