Chemical ID: 5898464

Cc1ccccc1N2CCN(CC2)C(=O)c3cc(nn3c4ccccc4Cl)c5ccc(cc5)[N+](=O)[O-]
Chemical ID:
5898464
Name [?]:
[2-(2-chlorophenyl)-5-(4-nitrophenyl)-pyrazol-3-yl]-[4-(o-tolyl)piperazin-1-yl]-methanone
SMILES [?]:
Cc1ccccc1N2CCN(CC2)C(=O)c3cc(nn3c4ccccc4Cl)c5ccc(cc5)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C27H24ClN5O3
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:8.82961
Area:725.006
Solvation:-9.29552
Coulombic:-42.6786
Bond Count [?]
All:40
Single:27
Double:13
Rotors:6
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:501.964
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:6.01
LogP (Chemaxon):5.89

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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