Chemical ID: 4728075

CSc1c(cccn1)C(=O)N
Chemical ID:
4728075
Name [?]:
2-methylsulfanylpyridine-3-carboxamide
SMILES [?]:
CSc1c(cccn1)C(=O)N
InChi [?]:
InChI=1/C7H8N2OS/c1-11-7-5(6(8)10)3-2-4-9-7/h2-4H,1H3,(H2,8,10)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,9,3,11,8,10,2/rA:11nCSCCCCCNCON/rB:s1;s2;s3;d4;s5;d6;d3s7;s4;d9;s9;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H8N2OS
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:5.58933
Area:316.709
Solvation:-2.32839
Coulombic:-30.8934
Bond Count [?]
All:11
Single:7
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:168.217
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:0.49
LogP (Chemaxon):0.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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