Molecule

ID:79002

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂ClN₃O₂
Molecular Mass
265.69558
Exact Mass
265.06180432
Charge
0
InChI
InChI=1S/C12H12ClN3O2/c1-7-4-5-9(8(2)6-7)18-12-15-10(13)14-11(16-12)17-3/h4-6H,1-3H3
InChIKey
GENPKWVJTABIEA-UHFFFAOYSA-N
Canonic Smiles
COc1nc(nc(n1)Cl)Oc1ccc(cc1C)C
Isomeric Smiles
n1c(nc(nc1Oc1ccc(cc1C)C)OC)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.491313
LogD (pH = 7.4)
4.491313
Log P
4.491313
Molar Refractivity
70.6986
Polarizability
26.100351
Polar Surface Area
57.13
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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