Chemical ID: 4128343

CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2ccc(cc2Cl)Cl)Oc3ccccc3[N+](=O)[O-]
Chemical ID:
4128343
Name [?]:
[4-[2-(2-nitrophenoxy)propanoylaminoiminomethyl]phenyl] 2,4-dichlorobenzoate
SMILES [?]:
CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2ccc(cc2Cl)Cl)Oc3ccccc3[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H17Cl2N3O6
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:3.89539
Area:735.323
Solvation:-14.4877
Coulombic:-55.1511
Bond Count [?]
All:36
Single:23
Double:13
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:502.303
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:6.72
LogP (Chemaxon):5.77

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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