Chemical ID: 5797000

c1ccc(c(c1)C(=O)Oc2cccc(c2)C=NNC(=O)COc3ccccc3[N+](=O)[O-])Cl
Chemical ID:
5797000
Name [?]:
[3-[[2-(2-nitrophenoxy)acetyl]aminoiminomethyl]phenyl] 2-chlorobenzoate
SMILES [?]:
c1ccc(c(c1)C(=O)Oc2cccc(c2)C=NNC(=O)COc3ccccc3[N+](=O)[O-])Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C22H16ClN3O6
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:2.62138
Area:689.59
Solvation:-14.6184
Coulombic:-54.9645
Bond Count [?]
All:34
Single:21
Double:13
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:453.832
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:5.57
LogP (Chemaxon):4.72

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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