Molecule

ID:117906

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉NO
Molecular Mass
183.20596
Exact Mass
183.06841391
Charge
0
InChI
InChI=1S/C12H9NO/c14-9-13-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8H2
InChIKey
UTYQUKHNHPEPDA-UHFFFAOYSA-N
Canonic Smiles
O=C=NCc1cccc2c1cccc2
Isomeric Smiles
C(=NCc1c2c(ccc1)cccc2)=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6713305
LogD (pH = 7.4)
2.6713305
Log P
2.6713305
Molar Refractivity
54.401
Polarizability
22.054628
Polar Surface Area
29.43
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
No Data Available
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Molecule Details
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References
Bioactivity
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