Molecule

ID:75320

General Information
Structure
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Molecular Formula
C₁₁H₇NO
Molecular Mass
169.17938
Exact Mass
169.05276385
Charge
0
InChI
InChI=1S/C11H7NO/c13-8-12-11-7-3-5-9-4-1-2-6-10(9)11/h1-7H
InChIKey
BDQNKCYCTYYMAA-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1cccc2c1cccc2
Isomeric Smiles
N(=C=O)c1cccc2ccccc12
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8722782
LogD (pH = 7.4)
2.8722782
Log P
2.8722782
Molar Refractivity
51.5802
Polarizability
20.189524
Polar Surface Area
29.43
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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