Chemical ID: 4136012

c1cc(cc(c1)[N+](=O)[O-])C=NNC(=O)CNC(=O)c2cccc(c2)Br
Chemical ID:
4136012
Name [?]:
3-bromo-N-[(3-nitrophenyl)methyleneaminocarbamoylmethyl]benzamide
SMILES [?]:
c1cc(cc(c1)[N+](=O)[O-])C=NNC(=O)CNC(=O)c2cccc(c2)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H13BrN4O4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.93501
Area:585.977
Solvation:-9.71443
Coulombic:-51.8966
Bond Count [?]
All:26
Single:16
Double:10
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:405.203
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.73
LogP (Chemaxon):2.91

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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