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Chemical ID: 7706621
Chemical ID:
7706621
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccccc2Br
InChi [?]:
InChI=1/C17H16BrN3O2/c1-12-6-8-13(9-7-12)17(23)19-11-16(22)21-20-10-14-4-2-3-5-15(14)18/h2-10H,11H2,1H3,(H,19,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,21,3,7,4,6,16,11,2,5,17,22,12,8,23,10,15,14,13,9/E:(6,7)(8,9)/rA:23nCCCCCCCCONCCONNCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s12;s14;w15;s16;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16BrN3O2 |
All Atoms: | 39 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.35096 |
Area: | 544.588 |
Solvation: | -4.26374 |
Coulombic: | -41.3854 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.4 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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