Molecule

ID:87582

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c1-9(14)10-7-12-13(8-10)11-5-3-2-4-6-11/h2-8H,1H3
InChIKey
ZZLLGMSBHKIMHK-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cnn(c1)c1ccccc1
Isomeric Smiles
n1(c2ccccc2)ncc(c1)C(=O)C
Calculated Properties
JChem
Acid pKa
15.196817
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6167037
LogD (pH = 7.4)
1.6167117
Log P
1.6167119
Molar Refractivity
54.8225
Polarizability
21.152773
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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