Chemical ID: 4135579

CSc1ccc(cc1)c2c(cn(n2)c3ccc(cc3)Br)C=O
Chemical ID:
4135579
Name [?]:
1-(4-bromophenyl)-3-(4-methylsulfanylphenyl)-pyrazole-4-carbaldehyde
SMILES [?]:
CSc1ccc(cc1)c2c(cn(n2)c3ccc(cc3)Br)C=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H13BrN2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.2815
Area:534.935
Solvation:-3.09189
Coulombic:-13.8731
Bond Count [?]
All:24
Single:15
Double:9
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:373.268
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:5.17
LogP (Chemaxon):5.21

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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