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Chemical ID: 4261397
Chemical ID:
4261397
Name [?]:
None
SMILES [?]:
Cc1cc2n3c(cc(n3)C)n4c(n2n1)cc(n4)C
InChi [?]:
InChI=1/C12H12N6/c1-7-4-10-16(13-7)11-5-8(2)15-18(11)12-6-9(3)14-17(10)12/h4-6H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,18,10,3,15,7,2,16,8,4,12,6,14,9,17,13,5,11/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12)(13,14,15)(16,17,18)/rA:18nCCCCNCCCNCNCNNCCNC/rB:s1;s2;d3;s4;s5;d6;s7;s5d8;s8;s6;s11;s4s12;d2s13;d12;s15;s11d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12N6 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.82809 |
Area: | 410.786 |
Solvation: | -2.44157 |
Coulombic: | -13.8121 |
Bond Count [?]
All: | 21 |
Single: | 15 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 240.264 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.33 |
LogP (Chemaxon): | 2.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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