Chemical ID: 4453322

c1cc(c(cc1Cl)[N+](=O)[O-])C(=O)N2CCN(CC2)C=O
Chemical ID:
4453322
Name [?]:
4-(4-chloro-2-nitro-benzoyl)piperazine-1-carbaldehyde
SMILES [?]:
c1cc(c(cc1Cl)[N+](=O)[O-])C(=O)N2CCN(CC2)C=O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H12ClN3O4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:0.860204
Area:459.344
Solvation:-10.6234
Coulombic:-38.4808
Bond Count [?]
All:21
Single:15
Double:6
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:297.694
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:1.16
LogP (Chemaxon):0.67

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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