Chemical ID: 4173543

c1[nH]c(=O)c2c(n1)c(c3n2CCCC3)C#N
Chemical ID:
4173543
Name [?]:
None
SMILES [?]:
c1[nH]c(=O)c2c(n1)c(c3n2CCCC3)C#N
InChi [?]:
InChI=1/C11H10N4O/c12-5-7-8-3-1-2-4-15(8)10-9(7)13-6-14-11(10)16/h6H,1-4H2,(H,13,14,16)
InChi Info:
AuxInfo=1/1/N:13,12,14,11,15,1,8,9,6,5,3,16,7,2,10,4/rA:16nCNCOCCNCCNCCCCCN/rB:s1;s2;d3;s3;d5;d1s6;s6;d8;s5s9;s10;s11;s12;s9s13;s8;t15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H10N4O
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.25938
Area:373.246
Solvation:-2.07178
Coulombic:-35.5348
Bond Count [?]
All:18
Single:13
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:214.223
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.35
LogP (Chemaxon):0.5

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