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Chemical ID: 7114362
Chemical ID:
7114362
Name [?]:
5-chloro-1-isopropyl-indoline-2,3-dione
SMILES [?]:
CC(C)N1c2ccc(cc2C(=O)C1=O)Cl
InChi [?]:
InChI=1/C11H10ClNO2/c1-6(2)13-9-4-3-7(12)5-8(9)10(14)11(13)15/h3-6H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,7,6,9,2,8,10,5,11,13,15,4,12,14/E:(1,2)/rA:15nCCCNCCCCCCCOCOCl/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s4s11;d13;s8;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10ClNO2 |
All Atoms: | 25 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.57599 |
Area: | 386.132 |
Solvation: | -2.07731 |
Coulombic: | -27.6691 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 223.655 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.23 |
LogP (Chemaxon): | 2.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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