Chemical ID: 4226841

CC(C)CC(=O)N1CCN(CC1)C(=O)c2ccc(cc2)[N+](=O)[O-]
Chemical ID:
4226841
Name [?]:
3-methyl-1-[4-(4-nitrobenzoyl)piperazin-1-yl]-butan-1-one
SMILES [?]:
CC(C)CC(=O)N1CCN(CC1)C(=O)c2ccc(cc2)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H21N3O4
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.56669
Area:528.625
Solvation:-8.64893
Coulombic:-43.9907
Bond Count [?]
All:24
Single:18
Double:6
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:319.356
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.1
LogP (Chemaxon):1.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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