Chemical ID: 4297943

c1ccc(cc1)c2c-3n(c(=O)s2)C(=O)c4c3cccc4
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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