Molecule

ID:86989

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClO₃
Molecular Mass
200.61896
Exact Mass
200.02402183
Charge
0
InChI
InChI=1S/C9H9ClO3/c1-12-8-4-3-6(10)5-7(8)9(11)13-2/h3-5H,1-2H3
InChIKey
HPTHYBXMNNGQEF-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(Cl)ccc1OC
Isomeric Smiles
O=C(c1cc(ccc1OC)Cl)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4230962
LogD (pH = 7.4)
2.4230962
Log P
2.4230962
Molar Refractivity
49.3513
Polarizability
19.18851
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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