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Chemical ID: 6706468
Chemical ID:
6706468
Name [?]:
(1-acetylindolin-5-yl)sulfonyl-phenyl-azanide
SMILES [?]:
CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)[N-]c3ccccc3
InChi [?]:
InChI=1/C16H15N2O3S/c1-12(19)18-10-9-13-11-15(7-8-16(13)18)22(20,21)17-14-5-3-2-4-6-14/h2-8,11H,9-10H2,1H3/q-1
InChi Info:
AuxInfo=1/0/N:1,20,19,21,18,22,10,9,6,5,12,2,7,17,11,8,16,4,3,14,15,13/E:(3,4)(5,6)(20,21)/CRV:17-1,22.6/rA:22nCCONCCCCCCCCSOON-CCCCCC/rB:s1;d2;s2;s4;s5;s6;s4s7;d8;s9;d10;d7s11;s11;d13;d13;s13;s16;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15N2O3S- |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -24.1765 |
Area: | 495.507 |
Solvation: | -36.5642 |
Coulombic: | 12.751 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 315.368 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 1.8 |
LogP (Chemaxon): | 1.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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