Chemical ID: 4526976

CC1=NN(C(=O)C1=Cc2cc(c(c(c2)OC)O)OC)c3ccc(cc3)Br
Chemical ID:
4526976
Name [?]:
2-(4-bromophenyl)-4-[(4-hydroxy-3,5-dimethoxy-phenyl)methylene]-5-methyl-pyrazol-3-one
SMILES [?]:
CC1=NN(C(=O)C1=Cc2cc(c(c(c2)OC)O)OC)c3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H17BrN2O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:8.12928
Area:563.337
Solvation:-5.95414
Coulombic:-46.7927
Bond Count [?]
All:28
Single:19
Double:9
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:417.253
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.99
LogP (Chemaxon):4.1

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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