Chemical ID: 5789740

c1ccc2c(c1)C(=O)Nc3ccccc3S2
Chemical ID:
5789740
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)Nc3ccccc3S2
InChi [?]:
InChI=1/C13H9NOS/c15-13-9-5-1-3-7-11(9)16-12-8-4-2-6-10(12)14-13/h1-8H,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,12,2,13,6,11,3,14,5,10,4,15,7,9,8,16/rA:16nCCCCCCCONCCCCCCS/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s4s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H9NOS
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.9795
Area:376.592
Solvation:-1.43529
Coulombic:-24.4377
Bond Count [?]
All:18
Single:11
Double:7
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:227.283
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.17
LogP (Chemaxon):3.56

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