Chemical ID: 5060654

Cc1ccc(cc1)N2C(=O)C(=Cc3cc(c(c(c3)OC)O)[N+](=O)[O-])C(=N2)C
Chemical ID:
5060654
Name [?]:
4-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-5-methyl-2-(p-tolyl)pyrazol-3-one
SMILES [?]:
Cc1ccc(cc1)N2C(=O)C(=Cc3cc(c(c(c3)OC)O)[N+](=O)[O-])C(=N2)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H17N3O5
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:3.27359
Area:559.728
Solvation:-10.7196
Coulombic:-49.7447
Bond Count [?]
All:29
Single:19
Double:10
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:367.355
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.12
LogP (Chemaxon):3.98

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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