Chemical ID: 4331824

COc1ccc(cc1[N+](=O)[O-])C(=O)CSc2[nH]c(nn2)c3ccccc3
Chemical ID:
4331824
Name [?]:
1-(4-methoxy-3-nitro-phenyl)-2-[(5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
SMILES [?]:
COc1ccc(cc1[N+](=O)[O-])C(=O)CSc2[nH]c(nn2)c3ccccc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C17H14N4O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:3.23748
Area:588.096
Solvation:-11.4649
Coulombic:-41.6225
Bond Count [?]
All:28
Single:18
Double:10
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:370.384
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.5
LogP (Chemaxon):2.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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