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Chemical ID: 7245551
Chemical ID:
7245551
Name [?]:
5-(2-chloroacetyl)-3-methyl-indolin-2-one
SMILES [?]:
CC1c2cc(ccc2NC1=O)C(=O)CCl
InChi [?]:
InChI=1/C11H10ClNO2/c1-6-8-4-7(10(14)5-12)2-3-9(8)13-11(6)15/h2-4,6H,5H2,1H3,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,6,7,4,14,2,5,3,8,12,10,15,9,13,11/rA:15cCCCCCCCCNCOCOCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s2s9;d10;s5;d12;s12;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H10ClNO2 |
All Atoms: | 25 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.3108 |
Area: | 391.637 |
Solvation: | -3.48012 |
Coulombic: | -27.322 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 223.655 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.07 |
LogP (Chemaxon): | 1.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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