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Chemical ID: 5237028
Chemical ID:
5237028
Name [?]:
None
SMILES [?]:
c1cc2c(c3c1[nH]cc3)c(nc(n2)N)N
InChi [?]:
InChI=1/C10H9N5/c11-9-8-5-3-4-13-6(5)1-2-7(8)14-10(12)15-9/h1-4,13H,(H4,11,12,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,9,8,5,6,3,4,10,12,15,14,7,13,11/rA:15nCCCCCCNCCCNCNNN/rB:s1;d2;s3;d4;d1s5;s6;s7;s5d8;s4;d10;s11;s3d12;s12;s10;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H9N5 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.01129 |
Area: | 347.311 |
Solvation: | -1.67148 |
Coulombic: | -55.0755 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 199.212 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 2 |
XLogP: | 1.06 |
LogP (Chemaxon): | 1.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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