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Chemical ID: 7051679
Chemical ID:
7051679
Name [?]:
1-(3-bromopropyl)-5-methyl-indoline-2,3-dione
SMILES [?]:
Cc1ccc2c(c1)C(=O)C(=O)N2CCCBr
InChi [?]:
InChI=1/C12H12BrNO2/c1-8-3-4-10-9(7-8)11(15)12(16)14(10)6-2-5-13/h3-4,7H,2,5-6H2,1H3
InChi Info:
AuxInfo=1/0/N:1,14,3,4,15,13,7,2,6,5,8,10,16,12,9,11/rA:16nCCCCCCCCOCONCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s10;s12;s13;s14;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H12BrNO2 |
All Atoms: | 28 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.10647 |
Area: | 418.089 |
Solvation: | -2.34575 |
Coulombic: | -27.7649 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 282.133 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.62 |
LogP (Chemaxon): | 2.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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