Chemical ID: 4353556

c1cc(cc(c1)C(=O)O)COc2ccc(cc2)C=C(C#N)c3ccc(cc3)Cl
Chemical ID:
4353556
Name [?]:
3-[[4-[2-(4-chlorophenyl)-2-cyano-vinyl]phenoxy]methyl]benzoic acid
SMILES [?]:
c1cc(cc(c1)C(=O)O)COc2ccc(cc2)C=C(C#N)c3ccc(cc3)Cl
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H16ClNO3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:12.0375
Area:640.645
Solvation:-3.97861
Coulombic:-42.3646
Bond Count [?]
All:30
Single:18
Double:11
Rotors:6
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:389.831
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.74
LogP (Chemaxon):5.54

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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