Chemical ID: 3965179

c1c(c2c([nH]1)c(=O)[nH]cn2)C3C(C(C(O3)CO)O)O
Chemical ID:
3965179
Name [?]:
9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4,7-triazabicyclo[4.3.0]nona-2,8,10-trien-5-one
SMILES [?]:
c1c(c2c([nH]1)c(=O)[nH]cn2)C3C(C(C(O3)CO)O)O
InChi [?]:
InChI=1/C11H13N3O5/c15-2-5-8(16)9(17)10(19-5)4-1-12-7-6(4)13-3-14-11(7)18/h1,3,5,8-10,12,15-17H,2H2,(H,13,14,18)
InChi Info:
AuxInfo=1/1/N:1,16,9,2,14,3,4,13,12,11,6,5,10,8,17,18,19,7,15/rA:19cCCCCNCONCNCCCCOCOOO/rB:d1;s2;d3;s1s4;s4;d6;s6;s8;s3d9;s2;s11;s12;s13;s11s14;s14;s16;s13;s12;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H13N3O5
All Atoms:19
Heavy Atoms:19
Chiral Atoms:4
ZAP Information [?]
Total:3.09674
Area:426.248
Solvation:-7.55946
Coulombic:-94.139
Bond Count [?]
All:21
Single:17
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:267.238
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:-2.02
LogP (Chemaxon):-1.44

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