Chemical ID: 7672252

c1ccc2c(c1)nn(n2)c3cc([nH]n3)O
Chemical ID:
7672252
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)nn(n2)c3cc([nH]n3)O
InChi [?]:
InChI=1/C9H7N5O/c15-9-5-8(10-11-9)14-12-6-3-1-2-4-7(6)13-14/h1-5H,(H2,10,11,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,5,4,10,12,14,13,7,9,8,15/E:(1,2)(3,4)(6,7)(12,13)/rA:15nCCCCCCNNNCCCNNO/rB:s1;d2;s3;s4;d1s5;d5;s7;d4s8;s8;s10;d11;s12;d10s13;s12;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H7N5O
All Atoms:22
Heavy Atoms:15
Chiral Atoms:None
ZAP Information [?]
Total:6.37689
Area:362.939
Solvation:-2.6966
Coulombic:-32.645
Bond Count [?]
All:17
Single:11
Double:6
Rotors:1
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.38
LogP (Chemaxon):None

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