Molecule

ID:66791

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀ClNO₂
Molecular Mass
199.6342
Exact Mass
199.04000625
Charge
0
InChI
InChI=1S/C9H10ClNO2/c1-3-13-9(12)7-4-6(2)5-8(10)11-7/h4-5H,3H2,1-2H3
InChIKey
OHUJWVBOFOMHFC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(C)cc(n1)Cl
Isomeric Smiles
c1(cc(cc(n1)Cl)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6393516
LogD (pH = 7.4)
2.6393518
Log P
2.6393518
Molar Refractivity
51.2103
Polarizability
19.440958
Polar Surface Area
39.19
Rotatable Bonds
3
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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