Molecule

ID:40782

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O
Molecular Mass
220.65496
Exact Mass
220.0403406
Charge
0
InChI
InChI=1S/C11H9ClN2O/c1-14-11(12)9(7-15)10(13-14)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
LIUUTPYWKXCVCS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(nn(c1Cl)C)c1ccccc1
Isomeric Smiles
c1(c(n(nc1c1ccccc1)C)Cl)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4657264
LogD (pH = 7.4)
2.465739
Log P
2.4657393
Molar Refractivity
71.1155
Polarizability
23.659023
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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