Molecule

ID:86312

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClN₃O₂
Molecular Mass
275.6904
Exact Mass
275.04615426
Charge
0
InChI
InChI=1S/C13H10ClN3O2/c1-8-11(13-15-10(7-14)16-19-13)12(17-18-8)9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKey
POUNHYXLWIDURY-UHFFFAOYSA-N
Canonic Smiles
ClCc1noc(n1)c1c(C)onc1c1ccccc1
Isomeric Smiles
n1c(c2c(onc2c2ccccc2)C)onc1CCl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.5979583
LogD (pH = 7.4)
3.5979593
Log P
3.5979593
Molar Refractivity
82.5092
Polarizability
28.105543
Polar Surface Area
64.95
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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