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Chemical ID: 7746347
Chemical ID:
7746347
Name [?]:
None
SMILES [?]:
CN(CCO)S(=O)(=O)c1cc(ccc1Cl)C(=O)O
InChi [?]:
InChI=1/C10H12ClNO5S/c1-12(4-5-13)18(16,17)9-6-7(10(14)15)2-3-8(9)11/h2-3,6,13H,4-5H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,12,13,3,4,10,11,14,9,16,15,2,5,17,18,7,8,6/E:(14,15)(16,17)/CRV:18.6/rA:18cCNCCOSOOCCCCCCClCOO/rB:s1;s2;s3;s4;s2;d6;d6;s6;s9;d10;s11;d12;d9s13;s14;s11;d16;s16;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12ClNO5S |
All Atoms: | 30 |
Heavy Atoms: | 18 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 5.93088 |
Area: | 432.107 |
Solvation: | -4.87179 |
Coulombic: | -48.8604 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 0.64 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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