Chemical ID: 4448895

CC1=NN(C(=O)C1=Cc2cccc(c2OCc3ccc(cc3)[N+](=O)[O-])OC)c4ccccc4
Chemical ID:
4448895
Name [?]:
4-[[3-methoxy-2-[(4-nitrophenyl)methoxy]phenyl]methylene]-5-methyl-2-phenyl-pyrazol-3-one
SMILES [?]:
CC1=NN(C(=O)C1=Cc2cccc(c2OCc3ccc(cc3)[N+](=O)[O-])OC)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H21N3O5
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:6.64081
Area:666.512
Solvation:-10.022
Coulombic:-45.5993
Bond Count [?]
All:36
Single:23
Double:13
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:443.451
H-Bond Donors:0
H-Bond Acceptors:8
XLogP:4.81
LogP (Chemaxon):5.32

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Descriptor Annotations

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