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Chemical ID: 6739030
Chemical ID:
6739030
Name [?]:
(1-acetylindolin-5-yl)sulfonyl-(3,4-dimethylphenyl)-azanide
SMILES [?]:
Cc1ccc(cc1C)[N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C
InChi [?]:
InChI=1/C18H19N2O3S/c1-12-4-5-16(10-13(12)2)19-24(22,23)17-6-7-18-15(11-17)8-9-20(18)14(3)21/h4-7,10-11H,8-9H2,1-3H3/q-1
InChi Info:
AuxInfo=1/0/N:1,8,24,3,4,14,15,19,20,6,18,2,7,22,17,5,13,16,9,21,23,11,12,10/E:(22,23)/CRV:19-1,24.6/rA:24nCCCCCCCCN-SOOCCCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;d10;s10;s13;d14;s15;d16;d13s17;s17;s19;s16s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N2O3S- |
All Atoms: | 43 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -23.2451 |
Area: | 540.62 |
Solvation: | -36.7606 |
Coulombic: | 13.4615 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 343.421 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 2.67 |
LogP (Chemaxon): | 2.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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