Chemical ID: 6668636

c1ccc(cc1)C(=O)Nc2c(cc(cc2Br)Br)Br
Chemical ID:
6668636
Name [?]:
N-(2,4,6-tribromophenyl)benzamide
SMILES [?]:
c1ccc(cc1)C(=O)Nc2c(cc(cc2Br)Br)Br
InChi [?]:
InChI=1/C13H8Br3NO/c14-9-6-10(15)12(11(16)7-9)17-13(18)8-4-2-1-3-5-8/h1-7H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,14,4,13,11,15,10,7,17,18,16,9,8/E:(2,3)(4,5)(6,7)(10,11)(15,16)/rA:18nCCCCCCCONCCCCCCBrBrBr/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s13;s11;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8Br3NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:9.76785
Area:457.78
Solvation:-1.67665
Coulombic:-23.3442
Bond Count [?]
All:19
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:433.921
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.39
LogP (Chemaxon):4.18

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Descriptor Annotations

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