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Chemical ID: 7051731
Chemical ID:
7051731
Name [?]:
5,7-dibromo-1-hexyl-indoline-2,3-dione
SMILES [?]:
CCCCCCN1c2c(cc(cc2Br)Br)C(=O)C1=O
InChi [?]:
InChI=1/C14H15Br2NO2/c1-2-3-4-5-6-17-12-10(13(18)14(17)19)7-9(15)8-11(12)16/h7-8H,2-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,10,12,11,9,13,8,16,18,15,14,7,17,19/rA:19nCCCCCCNCCCCCCBrBrCOCO/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;d8s12;s13;s11;s9;d16;s7s16;d18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15Br2NO2 |
All Atoms: | 34 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.1151 |
Area: | 486.531 |
Solvation: | -2.04814 |
Coulombic: | -28.216 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 389.082 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 4.81 |
LogP (Chemaxon): | 4.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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