Molecule

ID:61884

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)8-5-7(10)4-6(2)11-8/h4-5H,3H2,1-2H3
InChIKey
JGEIWLQNEUAPQK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc(Cl)cc(n1)C
Isomeric Smiles
c1(nc(cc(c1)Cl)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.037017
LogD (pH = 7.4)
2.0371222
Log P
2.0371234
Molar Refractivity
49.6993
Polarizability
19.385746
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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