Chemical ID: 5801681

C1CCC(=O)C(C1)C(C#N)(C#N)C(C#N)C#N
Chemical ID:
5801681
Name [?]:
2-(2-oxocyclohexyl)ethane-1,1,2,2-tetracarbonitrile
SMILES [?]:
C1CCC(=O)C(C1)C(C#N)(C#N)C(C#N)C#N
InChi [?]:
InChI=1/C12H10N4O/c13-5-9(6-14)12(7-15,8-16)10-3-1-2-4-11(10)17/h9-10H,1-4H2
InChi Info:
AuxInfo=1/0/N:1,2,7,3,14,16,9,11,13,6,4,8,15,17,10,12,5/E:(5,6)(7,8)(13,14)(15,16)/rA:17cCCCCOCCCCNCNCCNCN/rB:s1;s2;s3;d4;s4;s1s6;s6;s8;t9;s8;t11;s8;s13;t14;s13;t16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10N4O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:6.75916
Area:406.557
Solvation:-3.40476
Coulombic:-14.5512
Bond Count [?]
All:17
Single:12
Double:1
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:226.234
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.09
LogP (Chemaxon):2.02

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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