Chemical ID: 4508893

COc1cc(cc(c1O)[N+](=O)[O-])C=C2C(=O)N=C(S2)c3ccccc3
Chemical ID:
4508893
Name [?]:
5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]-2-phenyl-thiazol-4-one
SMILES [?]:
COc1cc(cc(c1O)[N+](=O)[O-])C=C2C(=O)N=C(S2)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H12N2O5S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:2.99434
Area:539.828
Solvation:-10.5014
Coulombic:-51.3824
Bond Count [?]
All:27
Single:17
Double:10
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:356.354
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:3.6
LogP (Chemaxon):3.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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