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Chemical ID: 7741767
Chemical ID:
7741767
Name [?]:
None
SMILES [?]:
CSc1ccccc1C(=O)N2CCC3(CC2)CC(=O)c4ccccc4O3
InChi [?]:
InChI=1/C21H21NO3S/c1-26-19-9-5-3-7-16(19)20(24)22-12-10-21(11-13-22)14-17(23)15-6-2-4-8-18(15)25-21/h2-9H,10-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,6,23,5,21,7,24,4,13,15,12,16,17,20,8,18,25,3,9,14,11,19,10,26,2/E:(10,11)(12,13)/rA:26nCSCCCCCCCONCCCCCCCOCCCCCCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;d18;s18;s20;d21;s22;d23;d20s24;s14s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21NO3S |
All Atoms: | 47 |
Heavy Atoms: | 26 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.82917 |
Area: | 544.844 |
Solvation: | -3.79193 |
Coulombic: | -34.8245 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.03 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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