Chemical ID: 6628098

c1ccc(c(c1)NC(=O)C(=O)NN=Cc2cccc(c2)Br)Cl
Chemical ID:
6628098
Name [?]:
N'-[(3-bromophenyl)methyleneamino]-N-(2-chlorophenyl)-oxamide
SMILES [?]:
c1ccc(c(c1)NC(=O)C(=O)NN=Cc2cccc(c2)Br)Cl
InChi [?]:
InChI=1/C15H11BrClN3O2/c16-11-5-3-4-10(8-11)9-18-20-15(22)14(21)19-13-7-2-1-6-12(13)17/h1-9H,(H,19,21)(H,20,22)
InChi Info:
AuxInfo=1/1/N:2,1,17,16,18,3,6,20,14,15,19,4,5,8,10,21,22,13,7,12,9,11/rA:22nCCCCCCNCOCONNCCCCCCCBrCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;d10;s10;s12;w13;s14;s15;d16;s17;d18;d15s19;s19;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H11BrClN3O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.7227
Area:528.002
Solvation:-2.47731
Coulombic:-46.1924
Bond Count [?]
All:23
Single:14
Double:9
Rotors:6
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:380.624
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.45
LogP (Chemaxon):3.64

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Descriptor Annotations

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