Molecule

ID:34644

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClO₃
Molecular Mass
200.61896
Exact Mass
200.02402183
Charge
0
InChI
InChI=1S/C9H9ClO3/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-5H,1-2H3
InChIKey
SAWHDJTZESXNMM-UHFFFAOYSA-N
Canonic Smiles
COc1c(OC)ccc(c1Cl)C=O
Isomeric Smiles
c1(c(c(ccc1OC)C=O)Cl)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9744503
LogD (pH = 7.4)
1.9744503
Log P
1.9744503
Molar Refractivity
50.3732
Polarizability
19.220533
Polar Surface Area
35.53
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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