Chemical ID: 7221416

CCn1cc(cn1)c2nc3c4ccccc4ncn3n2
Chemical ID:
7221416
Name [?]:
None
SMILES [?]:
CCn1cc(cn1)c2nc3c4ccccc4ncn3n2
InChi [?]:
InChI=1/C14H12N6/c1-2-19-8-10(7-16-19)13-17-14-11-5-3-4-6-12(11)15-9-20(14)18-13/h3-9H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,13,14,12,15,6,4,18,5,11,16,8,10,17,7,9,20,3,19/rA:20nCCNCCCNCNCCCCCCCNCNN/rB:s1;s2;s3;d4;s5;s3d6;s5;s8;d9;s10;s11;d12;s13;d14;d11s15;s16;d17;s10s18;d8s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12N6
All Atoms:32
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.97122
Area:450.058
Solvation:-2.28023
Coulombic:-21.6629
Bond Count [?]
All:23
Single:15
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:264.286
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:2.14
LogP (Chemaxon):2.17

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