Chemical ID: 4149811

COc1cc(ccc1OC(=O)c2ccccc2Br)C=C(C#N)c3ccc(cc3)Cl
Chemical ID:
4149811
Name [?]:
[4-[2-(4-chlorophenyl)-2-cyano-vinyl]-2-methoxy-phenyl] 2-bromobenzoate
SMILES [?]:
COc1cc(ccc1OC(=O)c2ccccc2Br)C=C(C#N)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H15BrClNO3
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:12.3909
Area:648.023
Solvation:-3.80966
Coulombic:-34.2563
Bond Count [?]
All:31
Single:19
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:468.727
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:6.44
LogP (Chemaxon):6.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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