Chemical ID: 4728069

CCCSc1c(cccn1)C(=O)N
Chemical ID:
4728069
Name [?]:
2-propylsulfanylpyridine-3-carboxamide
SMILES [?]:
CCCSc1c(cccn1)C(=O)N
InChi [?]:
InChI=1/C9H12N2OS/c1-2-6-13-9-7(8(10)12)4-3-5-11-9/h3-5H,2,6H2,1H3,(H2,10,12)
InChi Info:
AuxInfo=1/1/N:1,2,8,7,9,3,6,11,5,13,10,12,4/rA:13nCCCSCCCCCNCON/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s6;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H12N2OS
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:6.94775
Area:369.418
Solvation:-2.2877
Coulombic:-31.6535
Bond Count [?]
All:13
Single:9
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:196.27
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:1.2
LogP (Chemaxon):1.44

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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