Chemical ID: 6375980

c1cc(cc(c1)Cl)C(=O)Nc2ccc(cc2Br)Br
Chemical ID:
6375980
Name [?]:
3-chloro-N-(2,4-dibromophenyl)-benzamide
SMILES [?]:
c1cc(cc(c1)Cl)C(=O)Nc2ccc(cc2Br)Br
InChi [?]:
InChI=1/C13H8Br2ClNO/c14-9-4-5-12(11(15)7-9)17-13(18)8-2-1-3-10(16)6-8/h1-7H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,12,4,15,3,14,5,16,11,8,18,17,7,10,9/rA:18nCCCCCCClCONCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s5;s3;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s14;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8Br2ClNO
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:10.2992
Area:469.273
Solvation:-1.43263
Coulombic:-23.7303
Bond Count [?]
All:19
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:389.469
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.21
LogP (Chemaxon):4.55

Name Annotations

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Descriptor Annotations

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