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Chemical ID: 4958744
Chemical ID:
4958744
Name [?]:
6-(p-tolyl)pteridine-2,4,7-triamine
SMILES [?]:
Cc1ccc(cc1)c2c(nc3c(n2)c(nc(n3)N)N)N
InChi [?]:
InChI=1/C13H13N7/c1-6-2-4-7(5-3-6)8-10(14)18-12-9(17-8)11(15)19-13(16)20-12/h2-5H,1H3,(H6,14,15,16,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,7,4,6,2,5,8,12,9,14,11,16,20,19,18,13,10,15,17/E:(2,3)(4,5)/rA:20nCCCCCCCCCNCCNCNCNNNN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s11;d8s12;d12;s14;d15;d11s16;s16;s14;s9;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13N7 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.55962 |
Area: | 445.183 |
Solvation: | -1.56996 |
Coulombic: | -75.1666 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 267.289 |
H-Bond Donors: | 6 |
H-Bond Acceptors: | 3 |
XLogP: | 0.72 |
LogP (Chemaxon): | 1.83 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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