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Chemical ID: 6341854
Chemical ID:
6341854
Name [?]:
N-(2,4-dibromophenyl)-2-methoxy-benzamide
SMILES [?]:
COc1ccccc1C(=O)Nc2ccc(cc2Br)Br
InChi [?]:
InChI=1/C14H11Br2NO2/c1-19-13-5-3-2-4-10(13)14(18)17-12-7-6-9(15)8-11(12)16/h2-8H,1H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,14,13,16,15,8,17,12,3,9,19,18,11,10,2/rA:19nCOCCCCCCCONCCCCCCBrBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H11Br2NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.18442 |
Area: | 461.777 |
Solvation: | -3.36 |
Coulombic: | -29.2067 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 385.051 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.5 |
LogP (Chemaxon): | 3.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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