Chemical ID: 7678153

CN(c1cc(c(cc1[N+](=O)[O-])C#N)C#N)C2CCCCC2
Chemical ID:
7678153
Name [?]:
None
SMILES [?]:
CN(c1cc(c(cc1[N+](=O)[O-])C#N)C#N)C2CCCCC2
InChi [?]:
InChI=1/C15H16N4O2/c1-18(13-5-3-2-4-6-13)14-7-11(9-16)12(10-17)8-15(14)19(20)21/h7-8,13H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,20,17,21,4,7,14,12,5,6,16,3,8,15,13,2,9,10,11/E:(3,4)(5,6)(20,21)/CRV:19.5/rA:21cCNCCCCCCN+OO-CNCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s6;t12;s5;t14;s2;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N4O2
All Atoms:37
Heavy Atoms:21
Chiral Atoms:None
ZAP Information [?]
Total:2.38376
Area:477.147
Solvation:-9.54491
Coulombic:-20.1337
Bond Count [?]
All:22
Single:16
Double:4
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.27
LogP (Chemaxon):None

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue