Chemical ID: 5898763

c1ccc2c(c1)CCN(C2)C(=O)c3cc(nn3c4cccc(c4)[N+](=O)[O-])c5ccco5
Chemical ID:
5898763
Name [?]:
3,4-dihydro-1H-isoquinolin-2-yl-[5-(2-furyl)-2-(3-nitrophenyl)-pyrazol-3-yl]-methanone
SMILES [?]:
c1ccc2c(c1)CCN(C2)C(=O)c3cc(nn3c4cccc(c4)[N+](=O)[O-])c5ccco5
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H18N4O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:7.29313
Area:622.571
Solvation:-8.27114
Coulombic:-43.4176
Bond Count [?]
All:35
Single:23
Double:12
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:414.414
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.61
LogP (Chemaxon):3.65

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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