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Chemical ID: 4369180
Chemical ID:
4369180
Name [?]:
1-methyl-4-(2,3,4-trichlorophenyl)sulfonyl-piperazine
SMILES [?]:
CN1CCN(CC1)S(=O)(=O)c2ccc(c(c2Cl)Cl)Cl
InChi [?]:
InChI=1/C11H13Cl3N2O2S/c1-15-4-6-16(7-5-15)19(17,18)9-3-2-8(12)10(13)11(9)14/h2-3H,4-7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,12,3,7,4,6,14,11,15,16,19,18,17,2,5,9,10,8/E:(4,5)(6,7)(17,18)/CRV:19.6/rA:19nCNCCNCCSOOCCCCCCClClCl/rB:s1;s2;s3;s4;s5;s2s6;s5;d8;d8;s8;s11;d12;s13;d14;d11s15;s16;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H13Cl3N2O2S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.04193 |
Area: | 460.355 |
Solvation: | -2.46696 |
Coulombic: | -12.2395 |
Bond Count [?]
All: | 20 |
Single: | 15 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 343.657 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.62 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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