Chemical ID: 5787691

c1ccc2c(c1)c(=O)n3c(n2)ccc(n3)O
Chemical ID:
5787691
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)n3c(n2)ccc(n3)O
InChi [?]:
InChI=1/C11H7N3O2/c15-10-6-5-9-12-8-4-2-1-3-7(8)11(16)14(9)13-10/h1-6H,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,13,5,4,10,14,7,11,15,9,16,8/rA:16nCCCCCCCONCNCCCNO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4d10;s10;d12;s13;s9d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H7N3O2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:6.68184
Area:362.835
Solvation:-2.38903
Coulombic:-39.2196
Bond Count [?]
All:18
Single:11
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:213.192
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.34
LogP (Chemaxon):2.22

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue