Molecule

ID:78770

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₈Cl₂N₂O
Molecular Mass
349.25432
Exact Mass
348.07961857
Charge
0
InChI
InChI=1S/C18H18Cl2N2O/c1-11-8-9-15(12(2)10-11)22-16(23)13-6-4-5-7-14(13)21-18(22,3)17(19)20/h4-10,17,21H,1-3H3
InChIKey
RBFKZKFTMSTAQN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)C)N1C(=O)c2ccccc2NC1(C)C(Cl)Cl
Isomeric Smiles
N1(c2c(cc(cc2)C)C)C(Nc2c(cccc2)C1=O)(C(Cl)Cl)C
Calculated Properties
JChem
Acid pKa
11.465526
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.814423
LogD (pH = 7.4)
5.8143883
Log P
5.8144236
Molar Refractivity
97.1714
Polarizability
36.057076
Polar Surface Area
32.34
Rotatable Bonds
2
Lipinski's Rule of Five
false
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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