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Chemical ID: 7114360
Chemical ID:
7114360
Name [?]:
5-chloro-1-isopentyl-indoline-2,3-dione
SMILES [?]:
CC(C)CCN1c2ccc(cc2C(=O)C1=O)Cl
InChi [?]:
InChI=1/C13H14ClNO2/c1-8(2)5-6-15-11-4-3-9(14)7-10(11)12(16)13(15)17/h3-4,7-8H,5-6H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,9,8,4,5,11,2,10,12,7,13,15,17,6,14,16/E:(1,2)/rA:17nCCCCCNCCCCCCCOCOCl/rB:s1;s2;s2;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;s6s13;d15;s10;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H14ClNO2 |
All Atoms: | 31 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.84353 |
Area: | 439.021 |
Solvation: | -2.13198 |
Coulombic: | -28.4273 |
Bond Count [?]
All: | 18 |
Single: | 13 |
Double: | 5 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 251.708 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.21 |
LogP (Chemaxon): | 2.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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