Chemical ID: 3990666

c1cc2c(cc1[N+](=O)[O-])cc(s2)C(=O)O
Chemical ID:
3990666
Name [?]:
5-nitrobenzothiophene-2-carboxylic acid
SMILES [?]:
c1cc2c(cc1[N+](=O)[O-])cc(s2)C(=O)O
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C9H5NO4S
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:2.21858
Area:381.793
Solvation:-7.32624
Coulombic:-39.1451
Bond Count [?]
All:16
Single:10
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:223.206
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.77
LogP (Chemaxon):2.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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