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Chemical ID: 6472276
Chemical ID:
6472276
Name [?]:
5-chloro-1-(6-chlorohexyl)indoline-2,3-dione
SMILES [?]:
c1cc2c(cc1Cl)C(=O)C(=O)N2CCCCCCCl
InChi [?]:
InChI=1/C14H15Cl2NO2/c15-7-3-1-2-4-8-17-12-6-5-10(16)9-11(12)13(18)14(17)19/h5-6,9H,1-4,7-8H2
InChi Info:
AuxInfo=1/0/N:16,15,17,14,1,2,18,13,5,6,4,3,8,10,19,7,12,9,11/rA:19nCCCCCCClCOCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s8;d10;s3s10;s12;s13;s14;s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H15Cl2NO2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3694 |
Area: | 518.006 |
Solvation: | -2.58079 |
Coulombic: | -28.7881 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 300.18 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.55 |
LogP (Chemaxon): | 3.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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