Chemical ID: 4917457

Cn1c2c(c(=O)n(c1=O)C)N3CCC(=O)N=C3N2
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

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Descriptor Annotations

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