Chemical ID: 4225022

COCCCNC=C1C(=NN(C1=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3
Chemical ID:
4225022
Name [?]:
4-(3-methoxypropylaminomethylene)-2-(4-nitrophenyl)-5-phenyl-pyrazol-3-one
SMILES [?]:
COCCCNC=C1C(=NN(C1=O)c2ccc(cc2)[N+](=O)[O-])c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H20N4O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:6.69533
Area:618.75
Solvation:-8.77341
Coulombic:-48.8319
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:380.397
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.43
LogP (Chemaxon):2.94

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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