Chemical ID: 6645827

CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2cccc(c2)Br)Oc3ccc(cc3)[N+](=O)[O-]
Chemical ID:
6645827
Name [?]:
[4-[2-(4-nitrophenoxy)propanoylaminoiminomethyl]phenyl] 3-bromobenzoate
SMILES [?]:
CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2cccc(c2)Br)Oc3ccc(cc3)[N+](=O)[O-]
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H18BrN3O6
All Atoms:33
Heavy Atoms:33
Chiral Atoms:1
ZAP Information [?]
Total:6.59096
Area:726.002
Solvation:-11.5591
Coulombic:-57.6526
Bond Count [?]
All:35
Single:22
Double:13
Rotors:10
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:512.31
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:6.27
LogP (Chemaxon):5.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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