Chemical ID: 4130662

CCOc1cc(ccc1OC(=O)c2ccc(cc2)Cl)C=NNC(=O)C(C)Oc3ccc(cc3)[N+](=O)[O-]
Chemical ID:
4130662
Name [?]:
[2-ethoxy-4-[2-(4-nitrophenoxy)propanoylaminoiminomethyl]phenyl] 4-chlorobenzoate
SMILES [?]:
CCOc1cc(ccc1OC(=O)c2ccc(cc2)Cl)C=NNC(=O)C(C)Oc3ccc(cc3)[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:6.8891
Area:785.151
Solvation:-12.7397
Coulombic:-65.3375
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

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Experimental Annotations

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Descriptor Annotations

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