Chemical ID: 4118304

c1ccc2c(c1)n3cc(nc3s2)CO
Chemical ID:
4118304
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)n3cc(nc3s2)CO
InChi [?]:
InChI=1/C10H8N2OS/c13-6-7-5-12-8-3-1-2-4-9(8)14-10(12)11-7/h1-5,13H,6H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,8,13,9,5,4,11,10,7,14,12/rA:14nCCCCCCNCCNCSCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;s7d10;s4s11;s9;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8N2OS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.9598
Area:359.12
Solvation:-2.0182
Coulombic:-30.1968
Bond Count [?]
All:16
Single:11
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:204.249
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:1.53
LogP (Chemaxon):2.38

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Descriptor Annotations

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