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Chemical ID: 6420529
Chemical ID:
6420529
Name [?]:
None
SMILES [?]:
CN1c2c3c(cn(c3ncn2)C4C(C(C(O4)CO)O)O)C(=N)N1
InChi [?]:
InChI=1/C13H16N6O4/c1-18-11-7-5(10(14)17-18)2-19(12(7)16-4-15-11)13-9(22)8(21)6(3-20)23-13/h2,4,6,8-9,13,20-22H,3H2,1H3,(H2,14,17)
InChi Info:
AuxInfo=1/1/N:1,6,17,10,5,15,4,14,13,21,3,8,12,22,11,9,23,2,7,18,19,20,16/rA:23cCNCCCCNCNCNCCCCOCOOOCNN/rB:s1;s2;s3;s4;d5;s6;d4s7;s8;d9;d3s10;s7;s12;s13;s14;s12s15;s15;s17;s14;s13;s5;w21;s2s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H16N6O4 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 5 |
ZAP Information [?]
Total: | 4.42337 |
Area: | 484.378 |
Solvation: | -7.68608 |
Coulombic: | -97.5515 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 320.304 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 7 |
XLogP: | -0.53 |
LogP (Chemaxon): | -0.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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