Chemical ID: 6420529

CN1c2c3c(cn(c3ncn2)C4C(C(C(O4)CO)O)O)C(=N)N1
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

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Descriptor Annotations

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