Molecule

ID:18115

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O
Molecular Mass
220.65496
Exact Mass
220.0403406
Charge
0
InChI
InChI=1S/C11H9ClN2O/c12-9-4-1-5-10(13)11(9)15-8-3-2-6-14-7-8/h1-7H,13H2
InChIKey
GVHXELSOINPUQV-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1Oc1cccnc1)Cl
Isomeric Smiles
c1(Oc2cnccc2)c(N)cccc1Cl
Calculated Properties
JChem
Acid pKa
19.932068
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9849858
LogD (pH = 7.4)
2.0303614
Log P
2.0309794
Molar Refractivity
59.6471
Polarizability
22.788626
Polar Surface Area
48.14
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
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Molecule Details
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References
Bioactivity
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