Chemical ID: 5259539

c1ccc2c(c1)n3cccc3c(=O)s2
Chemical ID:
5259539
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)n3cccc3c(=O)s2
InChi [?]:
InChI=1/C11H7NOS/c13-11-9-5-3-7-12(9)8-4-1-2-6-10(8)14-11/h1-7H
InChi Info:
AuxInfo=1/0/N:1,2,9,6,10,3,8,5,11,4,12,7,13,14/rA:14nCCCCCCNCCCCCOS/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s7d10;s11;d12;s4s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H7NOS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.09924
Area:345.556
Solvation:-1.53967
Coulombic:-17.3146
Bond Count [?]
All:16
Single:10
Double:6
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:201.245
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.49
LogP (Chemaxon):3.13

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Descriptor Annotations

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