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Chemical ID: 7705916
Chemical ID:
7705916
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C(C(=O)NN=Cc2cc(ccc2OC(=O)c3ccc(cc3)Cl)Br)O
InChi [?]:
InChI=1/C22H16BrClN2O4/c23-17-8-11-19(30-22(29)15-6-9-18(24)10-7-15)16(12-17)13-25-26-21(28)20(27)14-4-2-1-3-5-14/h1-13,20,27H,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,23,27,16,24,26,17,14,12,4,22,13,15,25,18,7,8,20,29,28,11,10,30,9,21,19/E:(2,3)(4,5)(6,7)(9,10)/rA:30cCCCCCCCCONNCCCCCCCOCOCCCCCCClBrO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s18;s19;d20;s20;s22;d23;s24;d25;d22s26;s25;s15;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H16BrClN2O4 |
All Atoms: | 46 |
Heavy Atoms: | 30 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 11.957 |
Area: | 656.704 |
Solvation: | -4.46063 |
Coulombic: | -59.1383 |
Bond Count [?]
All: | 32 |
Single: | 20 |
Double: | 12 |
Rotors: | 8 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 5.74 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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