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Chemical ID: 5791336
Chemical ID:
5791336
Name [?]:
N'-(3-bromophenyl)-N-[(3-methoxyphenyl)methyleneamino]oxamide
SMILES [?]:
COc1cccc(c1)C=NNC(=O)C(=O)Nc2cccc(c2)Br
InChi [?]:
InChI=1/C16H14BrN3O3/c1-23-14-7-2-4-11(8-14)10-18-20-16(22)15(21)19-13-6-3-5-12(17)9-13/h2-10H,1H3,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,5,19,6,20,18,4,8,22,9,7,21,17,3,14,12,23,10,16,11,15,13,2/rA:23nCOCCCCCCCNNCOCONCCCCCCBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;s11;d12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H14BrN3O3 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.4963 |
Area: | 536.82 |
Solvation: | -3.92422 |
Coulombic: | -51.8612 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 7 |
Chiral: | 1 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 376.205 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.74 |
LogP (Chemaxon): | 3.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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