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Chemical ID: 6669065
Chemical ID:
6669065
Name [?]:
2-methoxy-N-(2,4,6-tribromophenyl)-benzamide
SMILES [?]:
COc1ccccc1C(=O)Nc2c(cc(cc2Br)Br)Br
InChi [?]:
InChI=1/C14H10Br3NO2/c1-20-12-5-3-2-4-9(12)14(19)18-13-10(16)6-8(15)7-11(13)17/h2-7H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,14,16,15,8,13,17,3,12,9,19,20,18,11,10,2/E:(6,7)(10,11)(16,17)/rA:20nCOCCCCCCCONCCCCCCBrBrBr/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;s13;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Br3NO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.46191 |
Area: | 488.47 |
Solvation: | -3.74984 |
Coulombic: | -28.5244 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 463.947 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.3 |
LogP (Chemaxon): | 3.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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