Molecule

ID:86888

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClN₃O₂
Molecular Mass
263.6797
Exact Mass
263.04615426
Charge
0
InChI
InChI=1S/C12H10ClN3O2/c1-18-11-3-2-9(7-15-11)16-12(17)8-4-5-14-10(13)6-8/h2-7H,1H3,(H,16,17)
InChIKey
XWARRZQXTKGSHP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cn1)NC(=O)c1ccnc(c1)Cl
Isomeric Smiles
N(c1ccc(nc1)OC)C(=O)c1cc(ncc1)Cl
Calculated Properties
JChem
Acid pKa
10.676721
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.8906416
LogD (pH = 7.4)
1.8905711
Log P
1.8907939
Molar Refractivity
69.9205
Polarizability
25.647095
Polar Surface Area
64.11
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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