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Chemical ID: 6739002
Chemical ID:
6739002
Name [?]:
(1-acetylindolin-5-yl)sulfonyl-(3-methoxyphenyl)-azanide
SMILES [?]:
CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)[N-]c3cccc(c3)OC
InChi [?]:
InChI=1/C17H17N2O4S/c1-12(20)19-9-8-13-10-16(6-7-17(13)19)24(21,22)18-14-4-3-5-15(11-14)23-2/h3-7,10-11H,8-9H2,1-2H3/q-1
InChi Info:
AuxInfo=1/0/N:1,24,19,18,20,10,9,6,5,12,22,2,7,17,21,11,8,16,4,3,14,15,23,13/E:(21,22)/CRV:18-1,24.6/rA:24nCCONCCCCCCCCSOON-CCCCCCOC/rB:s1;d2;s2;s4;s5;s6;s4s7;d8;s9;d10;d7s11;s11;d13;d13;s13;s16;s17;d18;s19;d20;d17s21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17N2O4S- |
All Atoms: | 41 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -23.9722 |
Area: | 535.367 |
Solvation: | -37.3564 |
Coulombic: | 5.19762 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 345.394 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 1.71 |
LogP (Chemaxon): | 1.43 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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