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Chemical ID: 7051724
Chemical ID:
7051724
Name [?]:
5,7-dibromo-1-ethyl-indoline-2,3-dione
SMILES [?]:
CCN1c2c(cc(cc2Br)Br)C(=O)C1=O
InChi [?]:
InChI=1/C10H7Br2NO2/c1-2-13-8-6(9(14)10(13)15)3-5(11)4-7(8)12/h3-4H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,6,8,7,5,9,4,12,14,11,10,3,13,15/rA:15nCCNCCCCCCBrBrCOCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;s5;d12;s3s12;d14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7Br2NO2 |
All Atoms: | 22 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.47086 |
Area: | 380.411 |
Solvation: | -2.03942 |
Coulombic: | -26.8915 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 332.976 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.75 |
LogP (Chemaxon): | 2.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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