Chemical ID: 4921815

c1ccc2c(c1)c(=O)n-3c(n2)CSc4c3cccc4
Chemical ID:
4921815
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c(=O)n-3c(n2)CSc4c3cccc4
InChi [?]:
InChI=1/C15H10N2OS/c18-15-10-5-1-2-6-11(10)16-14-9-19-13-8-4-3-7-12(13)17(14)15/h1-8H,9H2
InChi Info:
AuxInfo=1/0/N:1,2,17,18,6,3,16,19,12,5,4,15,14,10,7,11,9,8,13/rA:19nCCCCCCCONCNCSCCCCCC/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s4d10;s10;s12;s13;s9s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10N2OS
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.75692
Area:409.328
Solvation:-1.47627
Coulombic:-24.6567
Bond Count [?]
All:22
Single:14
Double:8
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:266.319
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.58
LogP (Chemaxon):2.62

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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