Chemical ID: 5541812

c1ccc(cc1)N=C2N(C(=O)C(=Cc3cc(ccc3O)[N+](=O)[O-])S2)C4CCCCC4
Chemical ID:
5541812
Name [?]:
3-cyclohexyl-5-[(2-hydroxy-5-nitro-phenyl)methylene]-2-phenylimino-thiazolidin-4-one
SMILES [?]:
c1ccc(cc1)N=C2N(C(=O)C(=Cc3cc(ccc3O)[N+](=O)[O-])S2)C4CCCCC4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H21N3O4S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:6.48178
Area:575.729
Solvation:-7.91145
Coulombic:-52.913
Bond Count [?]
All:33
Single:23
Double:10
Rotors:4
Chiral:2
Rigid Segments:5
Chemical Properties
Molecular Weight:423.486
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:4.43
LogP (Chemaxon):5.85

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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