Chemical ID: 4375844

CCOC(=O)c1cn(nc1c2ccc(cc2)Br)c3ccccc3
Chemical ID:
4375844
Name [?]:
ethyl 3-(4-bromophenyl)-1-phenyl-pyrazole-4-carboxylate
SMILES [?]:
CCOC(=O)c1cn(nc1c2ccc(cc2)Br)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H15BrN2O2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.1377
Area:533.294
Solvation:-2.19465
Coulombic:-27.0286
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:371.228
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.1
LogP (Chemaxon):4.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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