Chemical ID: 6046621

Cc1cnc2ccc3c(c2n1)nc(n3C)NO
Chemical ID:
6046621
Name [?]:
None
SMILES [?]:
Cc1cnc2ccc3c(c2n1)nc(n3C)NO
InChi [?]:
InChI=1/C11H11N5O/c1-6-5-12-7-3-4-8-10(9(7)13-6)14-11(15-17)16(8)2/h3-5,17H,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,15,6,7,3,2,5,8,10,9,13,4,11,12,16,14,17/rA:17nCCCNCCCCCCNNCNCNO/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s9;d12;s8s13;s14;s13;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H11N5O
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:5.76825
Area:395.676
Solvation:-4.12364
Coulombic:-41.049
Bond Count [?]
All:19
Single:13
Double:6
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:229.238
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.17
LogP (Chemaxon):0.52

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Descriptor Annotations

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