Molecule

ID:81885

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₈Cl₂O₂
Molecular Mass
373.27242
Exact Mass
372.06838518
Charge
0
InChI
InChI=1S/C21H18Cl2O2/c1-24-17-11-7-15(8-12-17)21(23,19-5-3-4-6-20(19)22)16-9-13-18(25-2)14-10-16/h3-14H,1-2H3
InChIKey
NJYMDUYPGNTDHQ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(c1ccccc1Cl)(c1ccc(cc1)OC)Cl
Isomeric Smiles
ClC(c1ccccc1Cl)(c1ccc(cc1)OC)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.281672
LogD (pH = 7.4)
6.281672
Log P
6.281672
Molar Refractivity
104.0937
Polarizability
40.06392
Polar Surface Area
18.46
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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