Chemical ID: 6478393

CC(=O)Nc1ccc(cc1)SCC#N
Chemical ID:
6478393
Name [?]:
N-[4-(cyanomethylsulfanyl)phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)SCC#N
InChi [?]:
InChI=1/C10H10N2OS/c1-8(13)12-9-2-4-10(5-3-9)14-7-6-11/h2-5H,7H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,6,10,7,9,13,12,2,5,8,14,4,3,11/E:(2,3)(4,5)/rA:14nCCONCCCCCCSCCN/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;t13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10N2OS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.01124
Area:398.081
Solvation:-2.94079
Coulombic:-21.9843
Bond Count [?]
All:14
Single:9
Double:4
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:206.265
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.25
LogP (Chemaxon):1.58

Name Annotations

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Descriptor Annotations

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