Chemical ID: 5734336

COc1ccc(cc1)n2c(nnn2)SCC(=O)Nc3ccc(c(c3)[N+](=O)[O-])Cl
Chemical ID:
5734336
Name [?]:
N-(4-chloro-3-nitro-phenyl)-2-[1-(4-methoxyphenyl)tetrazol-5-yl]sulfanyl-acetamide
SMILES [?]:
COc1ccc(cc1)n2c(nnn2)SCC(=O)Nc3ccc(c(c3)[N+](=O)[O-])Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C16H13ClN6O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:5.86492
Area:621.103
Solvation:-9.66265
Coulombic:-43.6458
Bond Count [?]
All:30
Single:20
Double:10
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:420.831
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.11
LogP (Chemaxon):3.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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