Chemical ID: 6669065

COc1ccccc1C(=O)Nc2c(cc(cc2Br)Br)Br
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

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