Molecule

ID:86879

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₄Cl₂N₂O₃
Molecular Mass
341.18926
Exact Mass
340.03814768
Charge
0
InChI
InChI=1S/C15H14Cl2N2O3/c1-21-11-2-4-12(5-3-11)22-7-6-18-15(20)13-8-10(16)9-19-14(13)17/h2-5,8-9H,6-7H2,1H3,(H,18,20)
InChIKey
ZZJKOKXFJDDAER-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OCCNC(=O)c1cc(Cl)cnc1Cl
Isomeric Smiles
n1cc(cc(c1Cl)C(=O)NCCOc1ccc(cc1)OC)Cl
Calculated Properties
JChem
Acid pKa
12.253701
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.7445345
LogD (pH = 7.4)
2.7445292
Log P
2.7445347
Molar Refractivity
85.5625
Polarizability
32.657856
Polar Surface Area
60.45
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
No Data Available
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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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