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Chemical ID: 4297943
Chemical ID:
4297943
Name [?]:
None
SMILES [?]:
c1ccc(cc1)c2c-3n(c(=O)s2)C(=O)c4c3cccc4
InChi [?]:
InChI=1/C16H9NO2S/c18-15-12-9-5-4-8-11(12)13-14(20-16(19)17(13)15)10-6-2-1-3-7-10/h1-9H
InChi Info:
AuxInfo=1/0/N:1,2,6,18,19,3,5,17,20,4,16,15,8,7,13,10,9,14,11,12/E:(2,3)(6,7)/rA:20nCCCCCCCCNCOSCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;d7;s8;s9;d10;s7s10;s9;d13;s13;s8s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H9NO2S |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.46833 |
Area: | 438.837 |
Solvation: | -2.5026 |
Coulombic: | -29.3113 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 279.314 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.38 |
LogP (Chemaxon): | 2.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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