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Chemical ID: 4917457
Chemical ID:
4917457
Name [?]:
None
SMILES [?]:
Cn1c2c(c(=O)n(c1=O)C)N3CCC(=O)N=C3N2
InChi [?]:
InChI=1/C10H11N5O3/c1-13-7-6(8(17)14(2)10(13)18)15-4-3-5(16)11-9(15)12-7/h3-4H2,1-2H3,(H,11,12,16)
InChi Info:
AuxInfo=1/1/N:1,10,13,12,14,4,3,5,17,8,16,18,2,7,11,15,6,9/rA:18nCNCCCONCOCNCCCONCN/rB:s1;s2;d3;s4;d5;s5;s2s7;d8;s7;s4;s11;s12;s13;d14;s14;s11d16;s3s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H11N5O3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.81312 |
Area: | 393.789 |
Solvation: | -3.0316 |
Coulombic: | -66.9985 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 249.226 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | -0.16 |
LogP (Chemaxon): | 0.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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