Chemical ID: 5733267

c1c(c(cc(c1N2CCCC2)N(=O)=O)C#N)C#N
Chemical ID:
5733267
Name [?]:
4-nitro-5-pyrrolidin-1-yl-benzene-1,2-dicarbonitrile
SMILES [?]:
c1c(c(cc(c1N2CCCC2)N(=O)=O)C#N)C#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H10N4O2
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:0.908203
Area:425.556
Solvation:-9.73071
Coulombic:-19.2878
Bond Count [?]
All:19
Single:12
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:242.234
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.07
LogP (Chemaxon):2.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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