Chemical ID: 7222670

Cc1ccnn1Cc2nc3c4c(c(sc4ncn3n2)C)C
Chemical ID:
7222670
Name [?]:
None
SMILES [?]:
Cc1ccnn1Cc2nc3c4c(c(sc4ncn3n2)C)C
InChi [?]:
InChI=1/C14H14N6S/c1-8-4-5-16-19(8)6-11-17-13-12-9(2)10(3)21-14(12)15-7-20(13)18-11/h4-5,7H,6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,21,20,3,4,7,17,2,12,13,8,11,10,15,16,5,9,19,6,18,14/rA:21nCCCCNNCCNCCCCSCNCNNCC/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s10;s11;d12;s13;d11s14;s15;d16;s10s17;d8s18;s13;s12;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H14N6S
All Atoms:35
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.23069
Area:477.154
Solvation:-2.69815
Coulombic:-20.3495
Bond Count [?]
All:24
Single:17
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:298.367
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.15
LogP (Chemaxon):3.02

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