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Chemical ID: 4937868
Chemical ID:
4937868
Name [?]:
None
SMILES [?]:
c1ccc-2c(c1)Cc3c2nc4ncnn4c3
InChi [?]:
InChI=1/C12H8N4/c1-2-4-10-8(3-1)5-9-6-16-12(13-7-14-16)15-11(9)10/h1-4,6-7H,5H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,7,16,13,5,8,4,9,11,12,14,10,15/rA:16nCCCCCCCCCNCNCNNC/rB:s1;d2;s3;d4;d1s5;s5;s7;s4s8;d9;s10;d11;s12;d13;s11s14;d8s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H8N4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.26061 |
Area: | 363.632 |
Solvation: | -1.83019 |
Coulombic: | -18.4001 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 208.219 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 0.96 |
LogP (Chemaxon): | 2.65 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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