Molecule

ID:16462

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO
Molecular Mass
157.16868
Exact Mass
157.05276385
Charge
0
InChI
InChI=1S/C10H7NO/c12-7-8-5-6-11-10-4-2-1-3-9(8)10/h1-7H
InChIKey
MGCGJBXTNWUHQE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccnc2c1cccc2
Isomeric Smiles
c12c(nccc1C=O)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8428379
LogD (pH = 7.4)
1.8433957
Log P
1.8434029
Molar Refractivity
46.5633
Polarizability
18.89041
Polar Surface Area
29.96
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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