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Chemical ID: 4173543
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
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Experimental Annotations
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Descriptor Annotations
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