Chemical ID: 4472560

c1c(c(cc(c1N2CCCC2C(=O)O)[N+](=O)[O-])C#N)C#N
Chemical ID:
4472560
Name [?]:
1-(4,5-dicyano-2-nitro-phenyl)pyrrolidine-2-carboxylic acid
SMILES [?]:
c1c(c(cc(c1N2CCCC2C(=O)O)[N+](=O)[O-])C#N)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C13H10N4O4
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:1.28788
Area:446.312
Solvation:-9.86993
Coulombic:-47.1207
Bond Count [?]
All:22
Single:15
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:286.243
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:1.44
LogP (Chemaxon):1.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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