Chemical ID: 5796503

CCOc1cc(ccc1OC(=O)c2ccc(cc2)[N+](=O)[O-])C=NNC(=O)COc3ccc(c(c3)C)C
Chemical ID:
5796503
Name [?]:
[4-[[2-(3,4-dimethylphenoxy)acetyl]aminoiminomethyl]-2-ethoxy-phenyl] 4-nitrobenzoate
SMILES [?]:
CCOc1cc(ccc1OC(=O)c2ccc(cc2)[N+](=O)[O-])C=NNC(=O)COc3ccc(c(c3)C)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C26H25N3O7
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:6.31915
Area:775.35
Solvation:-13.0646
Coulombic:-64.0017
Bond Count [?]
All:38
Single:25
Double:13
Rotors:12
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:491.493
H-Bond Donors:1
H-Bond Acceptors:10
XLogP:5.89
LogP (Chemaxon):5.22

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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