Chemical ID: 5447938

c1cc(cc(c1)NC(=O)COC(=O)c2cc(ccc2N)[N+](=O)[O-])C#N
Chemical ID:
5447938
Name [?]:
(3-cyanophenyl)carbamoylmethyl 2-amino-5-nitro-benzoate
SMILES [?]:
c1cc(cc(c1)NC(=O)COC(=O)c2cc(ccc2N)[N+](=O)[O-])C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H12N4O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:4.81389
Area:565.393
Solvation:-9.32095
Coulombic:-69.8612
Bond Count [?]
All:26
Single:16
Double:9
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:340.29
H-Bond Donors:3
H-Bond Acceptors:9
XLogP:1.8
LogP (Chemaxon):2.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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