Molecule

ID:84505

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₇Cl₂N₃O₂
Molecular Mass
366.24178
Exact Mass
365.06978216
Charge
0
InChI
InChI=1S/C17H17Cl2N3O2/c1-11(2)21-17(23)24-14-5-3-12(4-6-14)9-20-10-13-7-15(18)22-16(19)8-13/h3-9,11H,10H2,1-2H3,(H,21,23)
InChIKey
HNABYAZMMUKCLR-UHFFFAOYSA-N
Canonic Smiles
CC(NC(=O)Oc1ccc(cc1)/C=N/Cc1cc(Cl)nc(c1)Cl)C
Isomeric Smiles
n1c(cc(cc1Cl)C/N=C/c1ccc(cc1)OC(=O)NC(C)C)Cl
Calculated Properties
JChem
Acid pKa
14.602277
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.283
LogD (pH = 7.4)
4.3472214
Log P
4.3481045
Molar Refractivity
97.6569
Polarizability
36.56955
Polar Surface Area
63.58
Rotatable Bonds
6
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
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Molecule Details
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References
Bioactivity
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