Common name
metolcarb
Formula
C9H11NO2
CAS
1129-41-5
IUPAC name
3-methylphenyl N-methylcarbamate
SMILES
Cc1cccc(c1)OC(=O)NC
INCHI
InChI=1S/C9H11NO2/c1-7-4-3-5-8(6-7)12-9(11)10-2/h3-6H,1-2H3,(H,10,11)
Physicochemical Properties
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Lipophilicity
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Water Solubility
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Geometric
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Electrostatic
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Flexibility
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Photostability
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Topological
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Radar annotation
Insecticide-likeness scores
The higher the score, the better the insecticide-likeness
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