Chemical ID: 5665448

c1cc(ccc1C#N)C(=O)Nc2ccc(cc2Br)Br
Chemical ID:
5665448
Name [?]:
4-cyano-N-(2,4-dibromophenyl)-benzamide
SMILES [?]:
c1cc(ccc1C#N)C(=O)Nc2ccc(cc2Br)Br
InChi [?]:
InChI=1/C14H8Br2N2O/c15-11-5-6-13(12(16)7-11)18-14(19)10-3-1-9(8-17)2-4-10/h1-7H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,14,13,16,7,6,3,15,17,12,9,19,18,8,11,10/E:(1,2)(3,4)/rA:19nCCCCCCCNCONCCCCCCBrBr/rB:s1;d2;s3;d4;d1s5;s6;t7;s3;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H8Br2N2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.96987
Area:476.869
Solvation:-1.95185
Coulombic:-26.2761
Bond Count [?]
All:20
Single:12
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:380.034
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.31
LogP (Chemaxon):3.85

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Descriptor Annotations

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