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Chemical ID: 3969183
Chemical ID:
3969183
Name [?]:
None
SMILES [?]:
Cn1c2ccc3c(c2nc1N)cccn3
InChi [?]:
InChI=1/C11H10N4/c1-15-9-5-4-8-7(3-2-6-13-8)10(9)14-11(15)12/h2-6H,1H3,(H2,12,14)
InChi Info:
AuxInfo=1/1/N:1,13,12,5,4,14,7,6,3,8,10,11,15,9,2/rA:15nCNCCCCCCNCNCCCN/rB:s1;s2;s3;d4;s5;s6;d3s7;s8;s2d9;s10;d7;s12;d13;d6s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10N4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.94295 |
Area: | 354.329 |
Solvation: | -1.91528 |
Coulombic: | -33.6837 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 198.224 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.4 |
LogP (Chemaxon): | 2.01 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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