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Chemical ID: 4259146
Chemical ID:
4259146
Name [?]:
1,3,5-trichloro-1,3,5-triazinane-2,4,6-trione
SMILES [?]:
c1(=O)n(c(=O)n(c(=O)n1Cl)Cl)Cl
InChi [?]:
InChI=1/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11
InChi Info:
AuxInfo=1/0/N:1,4,7,12,10,11,3,9,6,2,5,8/E:(1,2,3)(4,5,6)(7,8,9)(10,11,12)/rA:12nCONCONCONClClCl/rB:d1;s1;s3;d4;s4;s6;d7;s1s7;s9;s6;s3;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C3Cl3N3O3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.65579 |
Area: | 341.256 |
Solvation: | -1.8756 |
Coulombic: | -45.2645 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 0 |
Chiral: | 0 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 232.409 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 0.59 |
LogP (Chemaxon): | 0.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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