Chemical ID: 3997268

c1cc(ccc1NC(=O)CC(=S)N)Cl
Chemical ID:
3997268
Name [?]:
3-amino-N-(4-chlorophenyl)-3-thioxo-propanamide
SMILES [?]:
c1cc(ccc1NC(=O)CC(=S)N)Cl
InChi [?]:
InChI=1/C9H9ClN2OS/c10-6-1-3-7(4-2-6)12-9(13)5-8(11)14/h1-4H,5H2,(H2,11,14)(H,12,13)
InChi Info:
AuxInfo=1/1/N:2,4,1,5,10,3,6,11,8,14,13,7,9,12/E:(1,2)(3,4)/rA:14nCCCCCCNCOCCSNCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s11;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H9ClN2OS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.44314
Area:393.766
Solvation:-2.40102
Coulombic:-36.3217
Bond Count [?]
All:14
Single:9
Double:5
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:228.699
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.94
LogP (Chemaxon):1.62

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Descriptor Annotations

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