Chemical ID: 4130570

CCOc1cc(ccc1OC(=O)c2ccc(cc2)Cl)C=NNC(=O)C(C)Oc3ccccc3[N+](=O)[O-]
Chemical ID:
4130570
Name [?]:
[2-ethoxy-4-[2-(2-nitrophenoxy)propanoylaminoiminomethyl]phenyl] 4-chlorobenzoate
SMILES [?]:
CCOc1cc(ccc1OC(=O)c2ccc(cc2)Cl)C=NNC(=O)C(C)Oc3ccccc3[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C25H22ClN3O7
All Atoms:36
Heavy Atoms:36
Chiral Atoms:1
ZAP Information [?]
Total:3.97547
Area:767.888
Solvation:-15.2217
Coulombic:-63.4367
Bond Count [?]
All:38
Single:25
Double:13
Rotors:12
Chiral:1
Rigid Segments:9
Chemical Properties
Molecular Weight:511.911
H-Bond Donors:1
H-Bond Acceptors:10
XLogP:6.16
LogP (Chemaxon):5.34

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue