Molecule

ID:75945

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O
Molecular Mass
186.2099
Exact Mass
186.07931295
Charge
0
InChI
InChI=1S/C11H10N2O/c1-13-7-6-11(12-13)10-4-2-9(8-14)3-5-10/h2-8H,1H3
InChIKey
QWKUTEQPAJGRLZ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)c1ccn(n1)C
Isomeric Smiles
n1(ccc(n1)c1ccc(cc1)C=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1465728
LogD (pH = 7.4)
2.1466825
Log P
2.146684
Molar Refractivity
66.3096
Polarizability
21.76265
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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