Chemical ID: 6380072

c1cc(ccc1C(=O)Nc2ccc(cc2Br)Br)Br
Chemical ID:
6380072
Name [?]:
4-bromo-N-(2,4-dibromophenyl)-benzamide
SMILES [?]:
c1cc(ccc1C(=O)Nc2ccc(cc2Br)Br)Br
InChi [?]:
InChI=1/C13H8Br3NO/c14-9-3-1-8(2-4-9)13(18)17-12-6-5-10(15)7-11(12)16/h1-7H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,12,11,14,6,3,13,15,10,7,18,17,16,9,8/E:(1,2)(3,4)/rA:18nCCCCCCCONCCCCCCBrBrBr/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s13;s3;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8Br3NO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.2365
Area:465.393
Solvation:-1.39835
Coulombic:-23.5391
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):4.83

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