Molecule

ID:91063

General Information
Structure
Molecular Formula
C₁₀H₁₃ClO₃
Molecular Mass
216.66142
Exact Mass
216.05532196
Charge
0
InChI
InChI=1S/C10H13ClO3/c1-8(2)9(3)4-5-10(8,6(11)12)14-7(9)13/h4-5H2,1-3H3/t9-,10-/m0/s1
InChIKey
PAXWODJTHKJQDZ-UWVGGRQHSA-N
Canonic Smiles
ClC(=O)[C@]12CC[C@](C2(C)C)(C(=O)O1)C
Isomeric Smiles
O1C(=O)[C@]2(C([C@]1(CC2)C(=O)Cl)(C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2617886
LogD (pH = 7.4)
2.2617886
Log P
2.2617886
Molar Refractivity
50.7758
Polarizability
20.4906
Polar Surface Area
43.37
Rotatable Bonds
1
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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