Molecule

ID:115754

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClO₃
Molecular Mass
210.61378
Exact Mass
210.00837176
Charge
0
InChI
InChI=1S/C10H7ClO3/c1-13-7-4-2-3-6-5-8(10(11)12)14-9(6)7/h2-5H,1H3
InChIKey
CESLGDUYYAIOPZ-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1oc(c2)C(=O)Cl
Isomeric Smiles
c1(oc2c(c1)cccc2OC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0856116
LogD (pH = 7.4)
2.0856116
Log P
2.0856116
Molar Refractivity
52.3545
Polarizability
21.002056
Polar Surface Area
39.44
Rotatable Bonds
2
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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