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Chemical ID: 6585301
Chemical ID:
6585301
Name [?]:
N-(3-bromophenyl)-2-(2,3-dioxoindolin-1-yl)-acetamide
SMILES [?]:
c1ccc2c(c1)C(=O)C(=O)N2CC(=O)Nc3cccc(c3)Br
InChi [?]:
InChI=1/C16H11BrN2O3/c17-10-4-3-5-11(8-10)18-14(20)9-19-13-7-2-1-6-12(13)15(21)16(19)22/h1-8H,9H2,(H,18,20)
InChi Info:
AuxInfo=1/1/N:1,2,18,19,17,6,3,21,12,20,16,5,4,13,7,9,22,15,11,14,8,10/rA:22nCCCCCCCOCONCCONCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;d9;s4s9;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11BrN2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.56641 |
Area: | 498.114 |
Solvation: | -3.88644 |
Coulombic: | -47.783 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 359.174 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.26 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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