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Chemical ID: 7432564
Chemical ID:
7432564
Name [?]:
1-acetyl-4,6-dichloro-indoline-2,3-dione
SMILES [?]:
CC(=O)N1c2cc(cc(c2C(=O)C1=O)Cl)Cl
InChi [?]:
InChI=1/C10H5Cl2NO3/c1-4(14)13-7-3-5(11)2-6(12)8(7)9(15)10(13)16/h2-3H,1H3
InChi Info:
AuxInfo=1/0/N:1,8,6,2,7,9,5,10,11,13,16,15,4,3,12,14/rA:16nCCONCCCCCCCOCOClCl/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s10;d11;s4s11;d13;s9;s7;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H5Cl2NO3 |
All Atoms: | 21 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.13331 |
Area: | 395.489 |
Solvation: | -2.75392 |
Coulombic: | -33.6215 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 258.057 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 1.84 |
LogP (Chemaxon): | 1.67 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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