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Chemical ID: 6472275
Chemical ID:
6472275
Name [?]:
5-chloro-1-(5-chloropentyl)indoline-2,3-dione
SMILES [?]:
c1cc2c(cc1Cl)C(=O)C(=O)N2CCCCCCl
InChi [?]:
InChI=1/C13H13Cl2NO2/c14-6-2-1-3-7-16-11-5-4-9(15)8-10(11)12(17)13(16)18/h4-5,8H,1-3,6-7H2
InChi Info:
AuxInfo=1/0/N:15,16,14,1,2,17,13,5,6,4,3,8,10,18,7,12,9,11/rA:18nCCCCCCClCOCONCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;d10;s3s10;s12;s13;s14;s15;s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H13Cl2NO2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.68134 |
Area: | 491.371 |
Solvation: | -2.60294 |
Coulombic: | -28.4353 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 286.153 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.19 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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