Molecule

ID:92503

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c1-13-11(7-10(8-14)12-13)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey
AGEKFZHCMVDIFA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(n(n1)C)c1ccccc1
Isomeric Smiles
n1c(cc(n1C)c1ccccc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.355376
LogD (pH = 7.4)
2.3553777
Log P
2.355378
Molar Refractivity
66.1739
Polarizability
21.766436
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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