Chemical ID: 5801770

c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)N2CCCCCC2)NN=Cc3ccncc3
Chemical ID:
5801770
Name [?]:
2-azepan-1-ylsulfonyl-4-nitro-N-(4-pyridylmethyleneamino)aniline
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])S(=O)(=O)N2CCCCCC2)NN=Cc3ccncc3
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C18H21N5O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:5.56414
Area:571.832
Solvation:-8.73165
Coulombic:-30.8291
Bond Count [?]
All:30
Single:20
Double:10
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:403.457
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.81
LogP (Chemaxon):3.34

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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