Molecule

ID:114328

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O
Molecular Mass
220.65496
Exact Mass
220.0403406
Charge
0
InChI
InChI=1S/C11H9ClN2O/c1-15-10-5-3-2-4-8(10)9-6-11(12)14-7-13-9/h2-7H,1H3
InChIKey
DWDRJPOECQRJDL-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1c1ncnc(c1)Cl
Isomeric Smiles
c1(cc(ncn1)Cl)c1c(OC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7493596
LogD (pH = 7.4)
2.7493618
Log P
2.7493618
Molar Refractivity
59.8158
Polarizability
23.941746
Polar Surface Area
35.01
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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