Chemical ID: 4130290

c1ccc(cc1)C(=O)NN=Cc2cc(ccc2OC(=O)c3ccccc3Cl)Br
Chemical ID:
4130290
Name [?]:
[2-(benzamidoiminomethyl)-4-bromo-phenyl] 2-chlorobenzoate
SMILES [?]:
c1ccc(cc1)C(=O)NN=Cc2cc(ccc2OC(=O)c3ccccc3Cl)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H14BrClN2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.8994
Area:608.057
Solvation:-3.30201
Coulombic:-42.2869
Bond Count [?]
All:30
Single:18
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:457.704
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:6.92
LogP (Chemaxon):5.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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