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Chemical ID: 4473289
Chemical ID:
4473289
Name [?]:
3,3-dichloroindolin-2-one
SMILES [?]:
c1ccc2c(c1)C(C(=O)N2)(Cl)Cl
InChi [?]:
InChI=1/C8H5Cl2NO/c9-8(10)5-3-1-2-4-6(5)11-7(8)12/h1-4H,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,8,7,11,12,10,9/E:(9,10)/rA:12nCCCCCCCCONClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s4s8;s7;s7;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H5Cl2NO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.09462 |
Area: | 336.059 |
Solvation: | -1.30686 |
Coulombic: | -24.6254 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 202.037 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.81 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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