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Chemical ID: 5185159
Chemical ID:
5185159
Name [?]:
None
SMILES [?]:
Cc1cc2cc3n(c2nn1)N=CCC3
InChi [?]:
InChI=1/C10H10N4/c1-7-5-8-6-9-3-2-4-11-14(9)10(8)13-12-7/h4-6H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,14,12,3,5,2,4,6,8,11,10,9,7/rA:14nCCCCCCNCNNNCCC/rB:s1;s2;d3;s4;d5;s6;s4s7;d8;d2s9;s7;d11;s12;s6s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H10N4 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.77922 |
Area: | 341.901 |
Solvation: | -2.7683 |
Coulombic: | -6.4314 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 186.213 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.37 |
LogP (Chemaxon): | -0.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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