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Chemical ID: 6046622
Chemical ID:
6046622
Name [?]:
None
SMILES [?]:
Cn1c2ccc3c(c2nc1NO)cccn3
InChi [?]:
InChI=1/C11H10N4O/c1-15-9-5-4-8-7(3-2-6-12-8)10(9)13-11(15)14-16/h2-6,16H,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,14,13,5,4,15,7,6,3,8,10,16,9,11,2,12/rA:16nCNCCCCCCNCNOCCCN/rB:s1;s2;s3;d4;s5;s6;d3s7;s8;s2d9;s10;s11;d7;s13;d14;d6s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10N4O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.82453 |
Area: | 374.892 |
Solvation: | -3.54777 |
Coulombic: | -36.7092 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 214.223 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 2 |
XLogP: | 1.53 |
LogP (Chemaxon): | 1.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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