Molecule

ID:112592

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁NO
Molecular Mass
197.23254
Exact Mass
197.08406398
Charge
0
InChI
InChI=1S/C13H11NO/c1-10(14-9-15)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,1H3
InChIKey
GONOHGQPZFXJOJ-UHFFFAOYSA-N
Canonic Smiles
O=C=NC(c1cccc2c1cccc2)C
Isomeric Smiles
CC(N=C=O)c1cccc2c1cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0879054
LogD (pH = 7.4)
3.0879054
Log P
3.0879054
Molar Refractivity
58.8198
Polarizability
23.901312
Polar Surface Area
29.43
Rotatable Bonds
2
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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