Chemical ID: 7157181

c1ccc2c(c1)c(=O)c-3n[nH]c4c(nc23)non4
Chemical ID:
7157181
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)c-3n[nH]c4c(nc23)non4
InChi [?]:
InChI=1/C11H5N5O2/c17-9-6-4-2-1-3-5(6)7-8(9)13-14-11-10(12-7)15-18-16-11/h1-4H,(H,14,16)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,4,5,15,9,7,13,12,14,10,11,16,18,8,17/rA:18nCCCCCCCOCNNCCNCNON/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s10;s11;s12;s13;s4s9d14;d13;s16;d12s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H5N5O2
All Atoms:23
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:7.39698
Area:389.7
Solvation:-2.34551
Coulombic:-30.0618
Bond Count [?]
All:21
Single:13
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:239.19
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.61
LogP (Chemaxon):0.77

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