Chemical ID: 4526975

CC1=NN(C(=O)C1=Cc2ccc(c(c2)OC)O)c3ccc(cc3)Br
Chemical ID:
4526975
Name [?]:
2-(4-bromophenyl)-4-[(4-hydroxy-3-methoxy-phenyl)methylene]-5-methyl-pyrazol-3-one
SMILES [?]:
CC1=NN(C(=O)C1=Cc2ccc(c(c2)OC)O)c3ccc(cc3)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H15BrN2O3
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:8.93882
Area:532.025
Solvation:-4.3618
Coulombic:-40.284
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:387.227
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.07
LogP (Chemaxon):4.35

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Experimental Annotations

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Descriptor Annotations

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