Chemical ID: 4199551

Cc1cccc(c1)OCCOc2ccc(cc2C=C3C(=O)NC(=N)S3)[N+](=O)[O-]
Chemical ID:
4199551
Name [?]:
2-imino-5-[[2-[2-(3-methylphenoxy)ethoxy]-5-nitro-phenyl]methylene]thiazolidin-4-one
SMILES [?]:
Cc1cccc(c1)OCCOc2ccc(cc2C=C3C(=O)NC(=N)S3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C19H17N3O5S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:4.89964
Area:619.184
Solvation:-10.58
Coulombic:-59.3854
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:399.422
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:3.42
LogP (Chemaxon):3.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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