Molecule

ID:13617

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClN₃O₂
Molecular Mass
275.6904
Exact Mass
275.04615426
Charge
0
InChI
InChI=1S/C13H10ClN3O2/c14-11-9(5-3-7-16-11)13(19)17-10-6-2-1-4-8(10)12(15)18/h1-7H,(H2,15,18)(H,17,19)
InChIKey
RNQZTQCLZSVCJN-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ccccc1NC(=O)c1cccnc1Cl
Isomeric Smiles
c1cnc(c(c1)C(=O)Nc1c(cccc1)C(=O)N)Cl
Calculated Properties
JChem
Acid pKa
9.64719
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.1722898
LogD (pH = 7.4)
2.1699917
Log P
2.1723204
Molar Refractivity
74.3791
Polarizability
26.869947
Polar Surface Area
85.08
Rotatable Bonds
3
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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