Chemical ID: 4454946

CSc1cccc(c1)NC(=O)CC#N
Chemical ID:
4454946
Name [?]:
N-(3-methylsulfanylphenyl)-3-nitrido-propanamide
SMILES [?]:
CSc1cccc(c1)NC(=O)CC#N
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C10H10N2OS
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.44514
Area:392.378
Solvation:-3.3643
Coulombic:-21.836
Bond Count [?]
All:14
Single:9
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:206.265
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.34
LogP (Chemaxon):2.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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