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Chemical ID: 7416988
Chemical ID:
7416988
Name [?]:
None
SMILES [?]:
c1cc(c(cc1Cl)S(=O)(=O)N2CCc3cc4c(cc3C2)OCCCO4)Cl
InChi [?]:
InChI=1/C18H17Cl2NO4S/c19-14-2-3-15(20)18(10-14)26(22,23)21-5-4-12-8-16-17(9-13(12)11-21)25-7-1-6-24-16/h2-3,8-10H,1,4-7,11H2
InChi Info:
AuxInfo=1/0/N:23,1,2,13,12,24,22,15,18,5,20,14,19,6,3,16,17,4,7,26,11,9,10,25,21,8/E:(22,23)/CRV:26.6/rA:26cCCCCCCClSOONCCCCCCCCCOCCCOCl/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;d8;s8;s11;s12;s13;s14;d15;s16;d17;d14s18;s11s19;s17;s21;s22;s23;s16s24;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H17Cl2NO4S |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.00872 |
Area: | 547.379 |
Solvation: | -4.67576 |
Coulombic: | -22.7867 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.89 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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