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Chemical ID: 6640836
Chemical ID:
6640836
Name [?]:
N,N'-bis(3-bromophenyl)oxamide
SMILES [?]:
c1cc(cc(c1)Br)NC(=O)C(=O)Nc2cccc(c2)Br
InChi [?]:
InChI=1/C14H10Br2N2O2/c15-9-3-1-5-11(7-9)17-13(19)14(20)18-12-6-2-4-10(16)8-12/h1-8H,(H,17,19)(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,16,6,17,2,15,4,19,5,18,3,14,9,11,7,20,8,13,10,12/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)/gE:(1,2)/rA:20nCCCCCCBrNCOCONCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Br2N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.56 |
Area: | 493.177 |
Solvation: | -1.76941 |
Coulombic: | -47.2595 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 398.049 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 3.62 |
LogP (Chemaxon): | 4.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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