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Chemical ID: 7708470
Chemical ID:
7708470
Name [?]:
None
SMILES [?]:
COc1ccc(cc1)C(=O)NCC(=O)NN=Cc2ccccc2Br
InChi [?]:
InChI=1/C17H16BrN3O3/c1-24-14-8-6-12(7-9-14)17(23)19-11-16(22)21-20-10-13-4-2-3-5-15(13)18/h2-10H,11H2,1H3,(H,19,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,22,5,7,4,8,17,12,6,18,3,23,13,9,24,11,16,15,14,10,2/E:(6,7)(8,9)/rA:24nCOCCCCCCCONCCONNCCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;d9;s9;s11;s12;d13;s13;s15;w16;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H16BrN3O3 |
All Atoms: | 40 |
Heavy Atoms: | 24 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 8.44083 |
Area: | 562.856 |
Solvation: | -5.63057 |
Coulombic: | -47.597 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.88 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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