Chemical ID: 4702609

Cc1c(c(=O)n([nH]1)c2ccc(c(c2)Cl)Cl)CCO
Chemical ID:
4702609
Name [?]:
2-(3,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
SMILES [?]:
Cc1c(c(=O)n([nH]1)c2ccc(c(c2)Cl)Cl)CCO
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H12Cl2N2O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:8.78312
Area:465.784
Solvation:-2.86148
Coulombic:-39.3313
Bond Count [?]
All:19
Single:14
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:287.141
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.2
LogP (Chemaxon):2.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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