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Chemical ID: 5786296
Chemical ID:
5786296
Name [?]:
6-[2-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]-1,3,5-triazine-2,4-diamine
SMILES [?]:
c1ccc(c(c1)c2nc(nc(n2)N)N)c3nc(nc(n3)N)N
InChi [?]:
InChI=1/C12H12N10/c13-9-17-7(18-10(14)21-9)5-3-1-2-4-6(5)8-19-11(15)22-12(16)20-8/h1-4H,(H4,13,14,17,18,21)(H4,15,16,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,7,15,9,11,17,19,14,13,22,21,8,12,16,20,10,18/E:(1,2)(3,4)(5,6)(7,8)(9,10,11,12)(13,14,15,16)(17,18,19,20)(21,22)/gE:(1,2)/rA:22nCCCCCCCNCNCNNNCNCNCNNN/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s11;s9;s4;s15;d16;s17;d18;d15s19;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12N10 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.65312 |
Area: | 462.348 |
Solvation: | -1.90558 |
Coulombic: | -103.877 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 296.291 |
H-Bond Donors: | 8 |
H-Bond Acceptors: | 4 |
XLogP: | -2.21 |
LogP (Chemaxon): | 0.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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