Chemical ID: 4937868

c1ccc-2c(c1)Cc3c2nc4ncnn4c3
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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