Chemical ID: 4647049

Cc1cc2ncn3c4ccccc4nc3n2n1
Chemical ID:
4647049
Name [?]:
None
SMILES [?]:
Cc1cc2ncn3c4ccccc4nc3n2n1
InChi [?]:
InChI=1/C12H9N5/c1-8-6-11-13-7-16-10-5-3-2-4-9(10)14-12(16)17(11)15-8/h2-7H,1H3
InChi Info:
AuxInfo=1/0/N:1,11,10,12,9,3,6,2,13,8,4,15,5,14,17,7,16/rA:17nCCCCNCNCCCCCCNCNN/rB:s1;s2;d3;s4;d5;s6;s7;s8;d9;s10;d11;d8s12;s13;s7d14;s4s15;d2s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H9N5
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.21982
Area:380.94
Solvation:-2.30367
Coulombic:-23.353
Bond Count [?]
All:20
Single:13
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:223.234
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.84
LogP (Chemaxon):2.19

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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