Molecule

ID:84986

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁ClO₂
Molecular Mass
222.66754
Exact Mass
222.04475727
Charge
0
InChI
InChI=1S/C12H11ClO2/c1-12(8-15-12)11(14)7-4-9-2-5-10(13)6-3-9/h2-7H,8H2,1H3
InChIKey
FTICWRZAOPJWHT-UHFFFAOYSA-N
Canonic Smiles
O=C(C1(C)OC1)/C=C/c1ccc(cc1)Cl
Isomeric Smiles
O1C(C1)(C(=O)/C=C/c1ccc(cc1)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.368832
LogD (pH = 7.4)
3.368832
Log P
3.368832
Molar Refractivity
60.3588
Polarizability
23.10955
Polar Surface Area
29.6
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
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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