Molecule

ID:56302

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁ClO₃
Molecular Mass
214.64554
Exact Mass
214.03967189
Charge
0
InChI
InChI=1S/C10H11ClO3/c1-7(10(11)12)14-9-5-3-8(13-2)4-6-9/h3-7H,1-2H3
InChIKey
IOMGKYYTJICTNN-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)OC(C(=O)Cl)C
Isomeric Smiles
C(=O)(C(Oc1ccc(cc1)OC)C)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2379804
LogD (pH = 7.4)
2.2379804
Log P
2.2379804
Molar Refractivity
53.4214
Polarizability
21.023102
Polar Surface Area
35.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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